 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895348/Gau-67953.inp" -scrdir="/scratch/9895348/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     67954.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=17_camphor_STD_B3LYPDBJ-augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=CarbonTetraChloride)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=11,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=11,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:33:04 2022, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.909392000000     -0.256340000000      0.424222000000
  C                                                -0.288665000000     -0.500024000000     -0.551274000000
  C                                                -0.053948000000      0.598961000000     -1.631490000000
  C                                                 0.591339000000      1.776614000000     -0.850814000000
  C                                                 0.596393000000      1.259663000000      0.600580000000
  C                                                -1.441722000000      0.068745000000      0.275102000000
  C                                                -0.867880000000      1.247572000000      1.065930000000
  C                                                -0.529238000000     -1.889055000000     -1.090275000000
  O                                                -2.580268000000     -0.322726000000      0.294255000000
  C                                                 2.280642000000     -0.533765000000     -0.190909000000
  C                                                 0.806031000000     -1.067470000000      1.719398000000
  H                                                 0.609760000000      0.209736000000     -2.403647000000
  H                                                -0.986507000000      0.874939000000     -2.124235000000
  H                                                 0.019348000000      2.699916000000     -0.943059000000
  H                                                 1.598810000000      1.987374000000     -1.206735000000
  H                                                -0.984333000000      1.058438000000      2.133454000000
  H                                                -1.413117000000      2.164495000000      0.837905000000
  H                                                 1.274731000000      1.792071000000      1.266719000000
  H                                                -1.431449000000     -1.907859000000     -1.702944000000
  H                                                -0.672823000000     -2.608440000000     -0.282929000000
  H                                                 0.309211000000     -2.221656000000     -1.704806000000
  H                                                 2.441196000000     -0.030030000000     -1.141406000000
  H                                                 2.414644000000     -1.604083000000     -0.357383000000
  H                                                 3.068204000000     -0.208478000000      0.493063000000
  H                                                -0.176749000000     -1.018099000000      2.186698000000
  H                                                 1.540309000000     -0.715601000000      2.447452000000
  H                                                 1.016849000000     -2.120323000000      1.524992000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Wed Mar 16 19:33:05 2022, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591339    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529238   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322726    0.294255
     10          6           0        2.280642   -0.533765   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019348    2.699916   -0.943059
     15          1           0        1.598810    1.987374   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413117    2.164495    0.837905
     18          1           0        1.274731    1.792071    1.266719
     19          1           0       -1.431449   -1.907859   -1.702944
     20          1           0       -0.672823   -2.608440   -0.282929
     21          1           0        0.309211   -2.221656   -1.704806
     22          1           0        2.441196   -0.030030   -1.141406
     23          1           0        2.414644   -1.604083   -0.357383
     24          1           0        3.068204   -0.208478    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016849   -2.120323    1.524992
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.564070   0.000000
     3  C    2.426008   1.558758   0.000000
     4  C    2.420698   2.459108   1.553292   0.000000
     5  C    1.557991   2.281796   2.416942   1.540717   0.000000
     6  C    2.378162   1.528377   2.417052   2.884067   2.382884
     7  C    2.415002   2.450496   2.891238   2.466397   1.536487
     8  C    2.651248   1.509240   2.590181   3.840594   3.747060
     9  O    3.492710   2.449040   3.307611   3.972090   3.562157
    10  C    1.528292   2.594675   2.967937   2.937187   2.584479
    11  C    1.531697   2.583855   3.839923   3.839387   2.590608
    12  H    2.881640   2.177662   1.090060   2.206068   3.182437
    13  H    3.371774   2.202660   1.090242   2.219058   3.174618
    14  H    3.376549   3.238516   2.212085   1.090032   2.188637
    15  H    2.858246   3.190508   2.199936   1.089081   2.191071
    16  H    2.869897   3.181277   3.905322   3.450272   2.211083
    17  H    3.380181   3.208406   3.224306   2.649541   2.216568
    18  H    2.244830   3.317078   3.404191   2.225131   1.089652
    19  H    3.568177   2.148092   2.861252   4.288722   4.410392
    20  H    2.921616   2.159862   3.533984   4.598837   4.165779
    21  H    2.958960   2.156875   2.844844   4.098178   4.185315
    22  H    2.202006   2.832188   2.619457   2.601995   2.846247
    23  H    2.166357   2.926503   3.545518   3.872600   3.524879
    24  H    2.160440   3.527635   3.861802   3.446949   2.876951
    25  H    2.205969   2.788802   4.148316   4.198435   2.881270
    26  H    2.168510   3.519088   4.572472   4.241490   2.864189
    27  H    2.167412   2.939492   4.301685   4.583845   3.529253
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.531123   0.000000
     8  C    2.555360   3.821299   0.000000
     9  O    1.204119   2.448181   2.928657   0.000000
    10  C    3.799497   3.829621   3.246705   4.889618   0.000000
    11  C    2.903338   2.930600   3.217485   3.748693   2.471556
    12  H    3.377004   3.911328   2.725286   4.211706   2.870688
    13  H    2.571767   3.214044   2.986274   3.134257   4.049254
    14  H    3.246799   2.632967   4.623989   4.174364   4.016948
    15  H    3.888678   3.434658   4.423670   5.005420   2.802310
    16  H    2.154569   1.090385   4.391726   2.799513   4.312521
    17  H    2.170192   1.090883   4.574974   2.800726   4.688595
    18  H    3.366344   2.219815   4.728680   4.503229   2.923363
    19  H    2.796379   4.235684   1.090734   2.796647   4.237217
    20  H    2.840761   4.089780   1.090843   3.032487   3.610499
    21  H    3.497390   4.593263   1.091452   3.993904   3.004563
    22  H    4.134405   4.177868   3.504578   5.230860   1.087645
    23  H    4.250876   4.575229   3.047094   5.197658   1.091444
    24  H    4.523692   4.235684   4.274680   5.653124   1.092650
    25  H    2.536846   2.620505   3.409012   3.137162   3.453457
    26  H    3.771845   3.400298   4.263277   4.665808   2.746290
    27  H    3.521195   3.886600   3.046882   4.205392   2.656813
                   11         12         13         14         15
    11  C    0.000000
    12  H    4.320796   0.000000
    13  H    4.664725   1.751752   0.000000
    14  H    4.679823   2.946676   2.395300   0.000000
    15  H    4.303815   2.360257   2.960267   1.752695   0.000000
    16  H    2.810041   4.883310   4.261642   3.628603   4.323472
    17  H    4.018364   4.291943   3.258715   2.347438   3.644671
    18  H    2.932844   4.051858   4.177667   2.698757   2.502228
    19  H    4.174326   3.023529   2.849460   4.890177   4.959993
    20  H    2.927612   3.752943   3.952561   5.393841   5.209150
    21  H    3.647485   2.547622   3.382855   4.988602   4.430245
    22  H    3.454598   2.237163   3.678868   3.654763   2.187190
    23  H    2.681158   3.276392   4.564553   4.960329   3.779623
    24  H    2.712783   3.822274   4.946183   4.451598   3.141687
    25  H    1.089341   4.816372   4.777389   4.863894   4.868353
    26  H    1.092263   5.025468   5.460306   5.047241   4.545611
    27  H    1.091209   4.585750   5.128537   5.506450   4.967312
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756606   0.000000
    18  H    2.528402   2.747200   0.000000
    19  H    4.869988   4.800033   5.461849   0.000000
    20  H    4.402492   4.958348   5.055578   1.755782   0.000000
    21  H    5.211959   5.354448   5.086472   1.768720   1.770798
    22  H    4.862481   4.856886   3.237246   4.340385   4.133073
    23  H    4.984609   5.502967   3.933316   4.085982   3.247573
    24  H    4.551814   5.082534   2.795941   5.287459   4.511903
    25  H    2.228684   3.671070   3.293966   4.182734   2.978982
    26  H    3.101552   4.428128   2.784435   5.242005   3.991964
    27  H    3.805191   4.973579   3.929381   4.056954   2.522266
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.109020   0.000000
    23  H    2.574838   1.758704   0.000000
    24  H    4.061472   1.759679   1.760146   0.000000
    25  H    4.102257   4.348125   3.678457   3.748814   0.000000
    26  H    4.585308   3.763178   3.069358   2.532049   1.762891
    27  H    3.307962   3.675291   2.400765   2.987990   1.754260
                   26         27
    26  H    0.000000
    27  H    1.760167   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.50D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591339    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529238   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322726    0.294255
     10          6           0        2.280642   -0.533765   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019348    2.699916   -0.943059
     15          1           0        1.598810    1.987374   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413117    2.164495    0.837905
     18          1           0        1.274731    1.792071    1.266719
     19          1           0       -1.431449   -1.907859   -1.702944
     20          1           0       -0.672823   -2.608440   -0.282929
     21          1           0        0.309211   -2.221656   -1.704806
     22          1           0        2.441196   -0.030030   -1.141406
     23          1           0        2.414644   -1.604083   -0.357383
     24          1           0        3.068204   -0.208477    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016849   -2.120323    1.524992
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4525294           1.1850541           1.0991329
 Leave Link  202 at Wed Mar 16 19:33:05 2022, MaxMem=  6442450944 cpu:               0.0 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       688.1944778673 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0542507951 Hartrees.
 Nuclear repulsion after empirical dispersion term =      688.1402270722 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   27.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : CarbonTetraChloride, Eps=   2.228000 Eps(inf)=   2.131892
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      27
 GePol: Total number of spheres                      =      27
 GePol: Number of exposed spheres                    =      27 (100.00%)
 GePol: Number of points                             =    1713
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.20D-11
 GePol: Maximum weight of points                     =    0.20577
 GePol: Number of points with low weight             =     123
 GePol: Fraction of low-weight points (<1% of avg)   =       7.18%
 GePol: Cavity surface area                          =    224.844 Ang**2
 GePol: Cavity volume                                =    242.600 Ang**3
 Leave Link  301 at Wed Mar 16 19:33:06 2022, MaxMem=  6442450944 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.36D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Wed Mar 16 19:33:07 2022, MaxMem=  6442450944 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:33:07 2022, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:33:07 2022, MaxMem=  6442450944 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442092371 LenY=  6441916369
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8803107.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.11D-15 for   1696.
 Iteration    1 A*A^-1 deviation from orthogonality  is 3.13D-15 for   1683    842.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.11D-15 for   1696.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.94D-15 for   1331   1127.
 E= -466.028198228791    
 DIIS: error= 1.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -466.028198228791     IErMin= 1 ErrMin= 1.53D-03
 ErrMax= 1.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.06D-03 BMatP= 5.06D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.221 Goal=   None    Shift=    0.000
 GapD=    0.221 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.14D-02 MaxDP=3.80D+00              OVMax= 1.68D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.79D-02    CP:  1.49D+00
 E= -466.032333424672     Delta-E=       -0.004135195881 Rises=F Damp=F
 DIIS: error= 3.72D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -466.032333424672     IErMin= 2 ErrMin= 3.72D-04
 ErrMax= 3.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.85D-05 BMatP= 5.06D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.72D-03
 Coeff-Com:  0.138D-01 0.986D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.138D-01 0.986D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.09D-03 MaxDP=1.57D-01 DE=-4.14D-03 OVMax= 5.15D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.12D-04    CP:  1.50D+00  1.03D+00
 E= -466.032156782003     Delta-E=        0.000176642669 Rises=F Damp=F
 DIIS: error= 6.80D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -466.032333424672     IErMin= 2 ErrMin= 3.72D-04
 ErrMax= 6.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.20D-04 BMatP= 8.85D-05
 IDIUse=3 WtCom= 2.77D-01 WtEn= 7.23D-01
 Coeff-Com: -0.781D-02 0.664D+00 0.343D+00
 Coeff-En:   0.000D+00 0.736D+00 0.264D+00
 Coeff:     -0.217D-02 0.716D+00 0.286D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.10D-04 MaxDP=6.61D-03 DE= 1.77D-04 OVMax= 3.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.28D-05    CP:  1.51D+00  1.03D+00  9.46D-01
 E= -466.032402847390     Delta-E=       -0.000246065387 Rises=F Damp=F
 DIIS: error= 6.15D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -466.032402847390     IErMin= 4 ErrMin= 6.15D-05
 ErrMax= 6.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.19D-06 BMatP= 8.85D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.435D-02 0.240D+00 0.435D-01 0.721D+00
 Coeff:     -0.435D-02 0.240D+00 0.435D-01 0.721D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=4.84D-05 MaxDP=4.29D-03 DE=-2.46D-04 OVMax= 3.96D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.49D-05    CP:  1.51D+00  1.03D+00  9.66D-01  1.20D+00
 E= -466.032407209663     Delta-E=       -0.000004362274 Rises=F Damp=F
 DIIS: error= 1.59D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -466.032407209663     IErMin= 5 ErrMin= 1.59D-05
 ErrMax= 1.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-07 BMatP= 5.19D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.817D-03 0.990D-02-0.265D-01 0.342D+00 0.675D+00
 Coeff:     -0.817D-03 0.990D-02-0.265D-01 0.342D+00 0.675D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.79D-05 MaxDP=1.85D-03 DE=-4.36D-06 OVMax= 8.37D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.11D-05    CP:  1.51D+00  1.03D+00  9.88D-01  1.23D+00  8.59D-01
 E= -466.032407569923     Delta-E=       -0.000000360260 Rises=F Damp=F
 DIIS: error= 2.35D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -466.032407569923     IErMin= 6 ErrMin= 2.35D-06
 ErrMax= 2.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.18D-09 BMatP= 3.71D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.208D-03-0.108D-02-0.101D-01 0.112D+00 0.239D+00 0.660D+00
 Coeff:     -0.208D-03-0.108D-02-0.101D-01 0.112D+00 0.239D+00 0.660D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.38D-06 MaxDP=2.48D-04 DE=-3.60D-07 OVMax= 2.06D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.53D-06    CP:  1.51D+00  1.03D+00  9.90D-01  1.23D+00  8.92D-01
                    CP:  1.06D+00
 E= -466.032407574163     Delta-E=       -0.000000004240 Rises=F Damp=F
 DIIS: error= 1.24D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -466.032407574163     IErMin= 7 ErrMin= 1.24D-06
 ErrMax= 1.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-09 BMatP= 5.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.647D-05-0.154D-02-0.154D-02 0.122D-01 0.289D-01 0.336D+00
 Coeff-Com:  0.626D+00
 Coeff:     -0.647D-05-0.154D-02-0.154D-02 0.122D-01 0.289D-01 0.336D+00
 Coeff:      0.626D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=8.12D-07 MaxDP=7.82D-05 DE=-4.24D-09 OVMax= 7.42D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.87D-07    CP:  1.51D+00  1.03D+00  9.91D-01  1.23D+00  8.97D-01
                    CP:  1.09D+00  8.82D-01
 E= -466.032407575314     Delta-E=       -0.000000001150 Rises=F Damp=F
 DIIS: error= 1.08D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -466.032407575314     IErMin= 8 ErrMin= 1.08D-07
 ErrMax= 1.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-11 BMatP= 1.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.820D-05-0.333D-03 0.108D-03-0.250D-02-0.493D-02 0.596D-01
 Coeff-Com:  0.170D+00 0.778D+00
 Coeff:      0.820D-05-0.333D-03 0.108D-03-0.250D-02-0.493D-02 0.596D-01
 Coeff:      0.170D+00 0.778D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.91D-07 MaxDP=2.38D-05 DE=-1.15D-09 OVMax= 1.05D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.86D-08    CP:  1.51D+00  1.03D+00  9.92D-01  1.23D+00  8.99D-01
                    CP:  1.09D+00  9.07D-01  1.04D+00
 E= -466.032407575387     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 5.37D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -466.032407575387     IErMin= 9 ErrMin= 5.37D-08
 ErrMax= 5.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-12 BMatP= 1.57D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.420D-05-0.123D-03 0.806D-04-0.140D-02-0.282D-02 0.195D-01
 Coeff-Com:  0.629D-01 0.371D+00 0.551D+00
 Coeff:      0.420D-05-0.123D-03 0.806D-04-0.140D-02-0.282D-02 0.195D-01
 Coeff:      0.629D-01 0.371D+00 0.551D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=3.22D-08 MaxDP=2.28D-06 DE=-7.32D-11 OVMax= 3.63D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.34D-08    CP:  1.51D+00  1.03D+00  9.92D-01  1.23D+00  8.99D-01
                    CP:  1.09D+00  9.11D-01  1.06D+00  9.53D-01
 E= -466.032407575319     Delta-E=        0.000000000068 Rises=F Damp=F
 DIIS: error= 1.35D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -466.032407575387     IErMin=10 ErrMin= 1.35D-08
 ErrMax= 1.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-13 BMatP= 2.35D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.729D-06-0.697D-05 0.263D-04-0.339D-03-0.716D-03 0.285D-03
 Coeff-Com:  0.437D-02 0.556D-01 0.226D+00 0.715D+00
 Coeff:      0.729D-06-0.697D-05 0.263D-04-0.339D-03-0.716D-03 0.285D-03
 Coeff:      0.437D-02 0.556D-01 0.226D+00 0.715D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=1.16D-08 MaxDP=9.34D-07 DE= 6.80D-11 OVMax= 1.03D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.88D-09    CP:  1.51D+00  1.03D+00  9.92D-01  1.23D+00  8.99D-01
                    CP:  1.09D+00  9.14D-01  1.07D+00  9.69D-01  9.21D-01
 E= -466.032407575341     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 3.90D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -466.032407575387     IErMin=11 ErrMin= 3.90D-09
 ErrMax= 3.90D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-14 BMatP= 1.70D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.238D-07 0.642D-05 0.256D-05-0.146D-04-0.392D-04-0.155D-02
 Coeff-Com: -0.368D-02-0.940D-02 0.516D-01 0.329D+00 0.634D+00
 Coeff:     -0.238D-07 0.642D-05 0.256D-05-0.146D-04-0.392D-04-0.155D-02
 Coeff:     -0.368D-02-0.940D-02 0.516D-01 0.329D+00 0.634D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.83D-09 MaxDP=2.43D-07 DE=-2.23D-11 OVMax= 3.45D-08

 Error on total polarization charges =  0.00935
 SCF Done:  E(RB3LYP) =  -466.032407575     A.U. after   11 cycles
            NFock= 11  Conv=0.28D-08     -V/T= 2.0061
 KE= 4.632180371308D+02 PE=-2.457984771788D+03 EE= 8.405941000092D+02
 Leave Link  502 at Wed Mar 16 19:37:01 2022, MaxMem=  6442450944 cpu:            1862.0 elap:             233.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.13733523D+03

 Leave Link  801 at Wed Mar 16 19:37:01 2022, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=   2.2280, EpsInf=   2.1319)
 Inv3:  Mode=1 IEnd=     8803107.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.11D-15 for   1696.
 Iteration    1 A*A^-1 deviation from orthogonality  is 3.13D-15 for   1683    842.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.11D-15 for   1696.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.94D-15 for   1331   1127.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 2.02D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 2.44D-01 7.49D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 5.35D-02 3.17D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 1.01D-02 1.34D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 1.51D-03 5.77D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 6.26D-05 1.75D-03.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.17D-06 2.17D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.17D-08 3.22D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 5.63D-10 3.67D-06.
      8 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 5.62D-12 3.00D-07.
      1 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 6.03D-14 2.13D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.144011D+03
      2  0.177724D+01  0.137621D+03
      3 -0.698588D+00  0.221212D+01  0.133703D+03
 Isotropic polarizability for W=    0.085645      138.45 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.259525D+02 -0.163701D+02  0.133500D+02
      2  -0.170455D+02  0.727136D+01 -0.757191D+01
      3  -0.890702D+01  0.909878D+01 -0.577812D+01
      4  -0.184840D+02  0.391349D+02 -0.181440D+02
      5   0.101442D+02 -0.184312D+02  0.502783D+02
      6  -0.947753D+01 -0.141289D+02 -0.304535D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.331320D+00 -0.540194D+01  0.233856D+01
      2   0.258015D+01 -0.544342D+01  0.247490D+02
      3   0.596043D+01 -0.199154D+02  0.660626D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.287241D+00 -0.655697D+01  0.121441D+02
      2   0.320581D+01 -0.866646D+01  0.591853D+02
      3  -0.211391D+01 -0.561804D+02  0.895370D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.509609D+00  0.286554D+00 -0.820969D+00
      2   0.286554D+00  0.970853D+00 -0.832790D+00
      3  -0.820969D+00 -0.832790D+00 -0.648943D+00
 OR G Eigenvalues:    -1.2553     0.4232     1.6637  Iso=    -0.2772
 Eigenvectors:
   (1)   0.366007   0.284370   0.886100
   (2)   0.784279  -0.606804  -0.129212
   (3)   0.500945   0.742241  -0.445120
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2772 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -86.35 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.13D+02
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     217
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.09D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 3.37D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 1.48D-02 3.27D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 8.30D-04 5.59D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 2.42D-05 1.04D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 2.63D-07 8.53D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.33D-09 3.31D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 5.16D-12 1.71D-07.
     10 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.57D-14 1.02D-08.
      2 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.42D-15 4.13D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 5.90D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 5.90D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.32D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.144011D+03  0.177724D+01 -0.698588D+00
      2   0.177724D+01  0.137621D+03  0.221212D+01
      3  -0.698588D+00  0.221212D+01  0.133703D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.331320D+00 -0.540194D+01  0.233856D+01
      2   0.258015D+01 -0.544342D+01  0.247490D+02
      3   0.596043D+01 -0.199154D+02  0.660626D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.259525D+02 -0.163701D+02  0.133500D+02
      2  -0.170455D+02  0.727136D+01 -0.757191D+01
      3  -0.890702D+01  0.909878D+01 -0.577812D+01
      4  -0.184840D+02  0.391349D+02 -0.181440D+02
      5   0.101442D+02 -0.184312D+02  0.502783D+02
      6  -0.947753D+01 -0.141289D+02 -0.304535D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.263185D+01  0.234236D+01  0.836941D+01  0.145130D+01  0.359817D+01
      2   0.234236D+01  0.440003D+01  0.593228D+00  0.359817D+01 -0.881317D+01
      3   0.836941D+01  0.593228D+00  0.434134D+01 -0.603366D-02 -0.247142D+01
                 6             7             8             9            10 
      1  -0.603366D-02  0.103204D+02  0.915640D+00  0.294402D+01 -0.663454D+01
      2  -0.247142D+01  0.915640D+00 -0.217418D+01  0.608201D+01 -0.297841D+01
      3   0.455440D+01  0.294402D+01  0.608201D+01 -0.156951D+01 -0.628712D+01
                11            12            13            14            15 
      1  -0.297841D+01 -0.628712D+01 -0.396207D+01  0.118689D+01  0.302001D+01
      2   0.147231D+01  0.318467D+01  0.118689D+01  0.109416D+01  0.436037D+01
      3   0.318467D+01 -0.921722D+00  0.302001D+01  0.436037D+01 -0.572366D+01
                16            17            18            19            20 
      1  -0.657604D+01  0.296567D+01 -0.292836D+01  0.330907D+01 -0.562199D+00
      2   0.296567D+01  0.312064D+01 -0.410273D+01 -0.562199D+00 -0.212410D+01
      3  -0.292836D+01 -0.410273D+01 -0.277210D+01  0.630317D+01 -0.381824D+01
                21            22            23            24            25 
      1   0.630317D+01  0.105321D+01 -0.399319D+00 -0.556114D+01  0.389429D+01
      2  -0.381824D+01 -0.399319D+00  0.608798D+00 -0.323033D+01 -0.347869D+01
      3  -0.108175D+01 -0.556114D+01 -0.323033D+01  0.336917D+01 -0.322717D+00
                26            27            28            29            30 
      1  -0.347869D+01 -0.322717D+00 -0.556005D+01 -0.356803D+01  0.352693D+01
      2  -0.478497D+01  0.224337D+01 -0.356803D+01  0.555892D+01  0.129717D+01
      3   0.224337D+01  0.385266D+01  0.352693D+01  0.129717D+01 -0.305985D+00
                31            32            33            34            35 
      1  -0.121936D+01  0.429126D+01  0.149757D+01  0.265080D+01  0.139236D+01
      2   0.429126D+01 -0.505145D+01  0.293889D+01  0.139236D+01  0.215564D+01
      3   0.149757D+01  0.293889D+01  0.291529D+01 -0.145943D+00  0.203700D+01
                36            37            38            39            40 
      1  -0.145943D+00  0.122222D+01 -0.203268D+01 -0.608855D+01  0.317754D+00
      2   0.203700D+01 -0.203268D+01 -0.451801D+01 -0.228076D+01 -0.643756D+01
      3  -0.378690D+01 -0.608855D+01 -0.228076D+01 -0.246844D+01 -0.274769D+01
                41            42            43            44            45 
      1  -0.643756D+01 -0.274769D+01 -0.477084D+01 -0.238233D+01 -0.278251D+01
      2   0.722873D+01 -0.224304D+01 -0.238233D+01  0.495879D-02 -0.530100D+01
      3  -0.224304D+01 -0.364603D+01 -0.278251D+01 -0.530100D+01  0.272888D+01
                46            47            48            49            50 
      1   0.104520D+02  0.459929D+01  0.450915D+00  0.418630D+01 -0.154019D+01
      2   0.459929D+01 -0.624454D+01 -0.502669D+01 -0.154019D+01 -0.141460D+01
      3   0.450915D+00 -0.502669D+01 -0.388822D+01 -0.278715D+01 -0.157276D+01
                51            52            53            54            55 
      1  -0.278715D+01  0.547179D+00 -0.199134D+01  0.203593D+00 -0.200129D+01
      2  -0.157276D+01 -0.199134D+01 -0.715834D+00  0.659386D+00 -0.163037D+01
      3   0.223317D+00  0.203593D+00  0.659386D+00  0.270176D+01  0.178200D+01
                56            57            58            59            60 
      1  -0.163037D+01  0.178200D+01 -0.219839D+01  0.539947D+01  0.159503D+01
      2   0.674448D+01  0.210151D+01  0.539947D+01 -0.411787D+01  0.191917D+01
      3   0.210151D+01  0.208927D+01  0.159503D+01  0.191917D+01  0.279080D+01
                61            62            63            64            65 
      1   0.571538D+00 -0.591108D+00  0.180399D+01  0.222052D+01  0.303010D+01
      2  -0.591108D+00  0.253771D+01  0.100029D+01  0.303010D+01 -0.398177D+00
      3   0.180399D+01  0.100029D+01 -0.786937D+01  0.690141D+01 -0.184472D+01
                66            67            68            69            70 
      1   0.690141D+01  0.193342D+01 -0.103432D+01 -0.192987D+01  0.564385D+01
      2  -0.184472D+01 -0.103432D+01 -0.149052D+00 -0.425835D+01 -0.213818D+01
      3   0.126928D+01 -0.192987D+01 -0.425835D+01  0.346872D+01  0.126594D+01
                71            72            73            74            75 
      1  -0.213818D+01  0.126594D+01 -0.203326D+02 -0.418243D+01  0.140726D+01
      2  -0.438912D+01  0.450965D+01 -0.418243D+01 -0.591011D+00  0.170842D+01
      3   0.450965D+01  0.118281D+01  0.140726D+01  0.170842D+01 -0.516055D+00
                76            77            78            79            80 
      1  -0.446652D+01 -0.441176D+01  0.844466D+00  0.373510D+00  0.301276D+00
      2  -0.441176D+01 -0.243215D+01  0.107534D+01  0.301276D+00  0.182395D+00
      3   0.844466D+00  0.107534D+01 -0.305854D+00 -0.386835D+01 -0.111815D+01
                81            82            83            84            85 
      1  -0.386835D+01 -0.172543D+01 -0.255740D+01 -0.615581D+01 -0.339285D+01
      2  -0.111815D+01 -0.255740D+01 -0.199608D+01 -0.488264D+00 -0.347517D+01
      3  -0.190714D+00 -0.615581D+01 -0.488264D+00 -0.254762D+01 -0.555793D+00
                86            87            88            89            90 
      1  -0.347517D+01 -0.555793D+00 -0.744658D+01 -0.562568D+00 -0.361058D+01
      2   0.804082D+01  0.268334D+01 -0.562568D+00  0.237225D+01 -0.389094D+01
      3   0.268334D+01 -0.416821D+01 -0.361058D+01 -0.389094D+01  0.355236D+01
                91            92            93            94            95 
      1   0.278729D+01 -0.673741D+00 -0.720721D+01 -0.136753D+01 -0.260685D+01
      2  -0.673741D+00 -0.236067D+01 -0.918203D+00 -0.260685D+01  0.819119D+01
      3  -0.720721D+01 -0.918203D+00 -0.247231D+01 -0.122938D+01  0.152930D+01
                96            97            98            99           100 
      1  -0.122938D+01 -0.633322D+01 -0.125986D+01 -0.250289D+01  0.310077D+01
      2   0.152930D+01 -0.125986D+01  0.294767D+01 -0.399668D+01 -0.532265D+00
      3  -0.479178D+01 -0.250289D+01 -0.399668D+01 -0.565897D+00 -0.326795D+01
               101           102           103           104           105 
      1  -0.532265D+00 -0.326795D+01 -0.142871D+01  0.897197D+00  0.195975D+01
      2   0.156825D+01  0.104860D+01  0.897197D+00 -0.142108D+01 -0.125188D+01
      3   0.104860D+01  0.457726D+01  0.195975D+01 -0.125188D+01 -0.356291D+01
               106           107           108           109           110 
      1  -0.246728D+01  0.686553D+00  0.296448D+01 -0.600743D+01  0.132887D+01
      2   0.686553D+00 -0.104510D+01 -0.143925D+01  0.132887D+01 -0.172111D+01
      3   0.296448D+01 -0.143925D+01 -0.846351D+01 -0.478859D+01  0.171802D+01
               111           112           113           114           115 
      1  -0.478859D+01  0.112959D+01 -0.113109D+01  0.120215D+01 -0.267214D+01
      2   0.171802D+01 -0.113109D+01  0.119706D+01 -0.108963D+01  0.101281D+01
      3  -0.490113D+01  0.120215D+01 -0.108963D+01  0.104178D+01 -0.267267D+01
               116           117           118           119           120 
      1   0.101281D+01 -0.267267D+01 -0.119089D+01  0.269666D+01 -0.857923D+00
      2  -0.704760D+00  0.851979D+00  0.269666D+01 -0.517451D+01  0.915037D+00
      3   0.851979D+00 -0.486377D+01 -0.857923D+00  0.915037D+00 -0.108978D+01
               121           122           123           124           125 
      1   0.192044D+01 -0.258213D+01  0.345626D+00 -0.427052D+00 -0.768407D-02
      2  -0.258213D+01  0.113575D+02 -0.223162D+01 -0.768407D-02 -0.103092D+01
      3   0.345626D+00 -0.223162D+01  0.153711D+01 -0.471614D+00  0.122127D+01
               126           127           128           129           130 
      1  -0.471614D+00  0.878524D+01  0.368261D+01 -0.294947D+01  0.192447D+01
      2   0.122127D+01  0.368261D+01  0.302465D+01 -0.156915D+01  0.172382D+01
      3  -0.423456D+00 -0.294947D+01 -0.156915D+01  0.258427D+01 -0.924338D+00
               131           132           133           134           135 
      1   0.172382D+01 -0.924338D+00 -0.253782D+01 -0.120600D+01  0.194412D+01
      2   0.235492D+01 -0.106647D+01 -0.120600D+01 -0.132085D+01  0.857764D+00
      3  -0.106647D+01  0.471126D+00  0.194412D+01  0.857764D+00 -0.161003D+01
               136           137           138           139           140 
      1  -0.145345D+00  0.209728D+00  0.156019D+01 -0.458024D+00 -0.498125D+00
      2   0.209728D+00 -0.859946D+00 -0.586576D+00 -0.498125D+00  0.384387D+00
      3   0.156019D+01 -0.586576D+00 -0.181677D+01  0.284532D+00  0.975287D+00
               141           142           143           144           145 
      1   0.284532D+00  0.212043D+01 -0.162837D+00 -0.193085D+01 -0.356864D+01
      2   0.975287D+00 -0.162837D+00  0.177427D+01  0.125629D+01  0.352476D+01
      3  -0.139147D+01 -0.193085D+01  0.125629D+01  0.121295D+02  0.314703D+00
               146           147           148           149           150 
      1   0.352476D+01  0.314703D+00  0.369181D+01 -0.406563D+01 -0.575311D+00
      2  -0.488162D+01 -0.102279D+01 -0.406563D+01  0.953437D+01  0.541188D+00
      3  -0.102279D+01 -0.107072D+01 -0.575311D+00  0.541188D+00  0.123477D+01
               151           152           153           154           155 
      1  -0.115598D+01  0.883168D+00 -0.480508D+00  0.522693D+01  0.342318D+01
      2   0.883168D+00 -0.167682D+01  0.112260D+01  0.342318D+01  0.357955D+01
      3  -0.480508D+00  0.112260D+01  0.841789D+00  0.365801D+01  0.213296D+01
               156           157           158           159           160 
      1   0.365801D+01  0.202191D+01  0.296413D+01  0.133694D+01  0.343826D+01
      2   0.213296D+01  0.296413D+01  0.374179D+01  0.247983D+01  0.207029D+01
      3   0.330802D+01  0.133694D+01  0.247983D+01  0.250375D+01  0.319847D+01
               161           162           163           164           165 
      1   0.207029D+01  0.319847D+01 -0.645467D+01 -0.224108D+01 -0.441006D+01
      2   0.280090D+01  0.335208D+01 -0.224108D+01 -0.261617D+01 -0.147097D+01
      3   0.335208D+01  0.466768D+01 -0.441006D+01 -0.147097D+01 -0.411298D+01
               166           167           168           169           170 
      1  -0.620715D+00 -0.107160D+01 -0.190358D+00 -0.390933D+01 -0.951001D+00
      2  -0.107160D+01 -0.400294D+00 -0.383100D+00 -0.951001D+00 -0.102219D+01
      3  -0.190358D+00 -0.383100D+00 -0.413163D+00 -0.319155D+01 -0.191572D+01
               171           172           173           174           175 
      1  -0.319155D+01 -0.861852D+00 -0.140594D+01 -0.323391D-01 -0.117437D+01
      2  -0.191572D+01 -0.140594D+01 -0.120284D+01  0.628501D+00 -0.104049D+01
      3  -0.428514D+01 -0.323391D-01  0.628501D+00 -0.564623D+00  0.493948D+00
               176           177           178           179           180 
      1  -0.104049D+01  0.493948D+00  0.767399D+00  0.110470D+01 -0.459673D+00
      2  -0.710916D+01  0.290342D+01  0.110470D+01  0.565965D+01 -0.277936D+01
      3   0.290342D+01 -0.240116D+01 -0.459673D+00 -0.277936D+01  0.358904D+01
               181           182           183           184           185 
      1   0.401784D+01 -0.217371D+01 -0.298331D+01 -0.136490D+01  0.172922D+01
      2  -0.217371D+01  0.344378D+01  0.219706D+01  0.172922D+01 -0.230778D+01
      3  -0.298331D+01  0.219706D+01  0.315940D+01  0.120804D+01 -0.109126D+01
               186           187           188           189           190 
      1   0.120804D+01 -0.276726D+01  0.145242D+01  0.198013D+01  0.110363D+01
      2  -0.109126D+01  0.145242D+01 -0.200964D+01 -0.264855D+01  0.101689D+01
      3  -0.157754D+01  0.198013D+01 -0.264855D+01 -0.407048D+01 -0.108226D+01
               191           192           193           194           195 
      1   0.101689D+01 -0.108226D+01  0.208945D+01  0.561021D+00 -0.631783D+00
      2   0.402951D+00 -0.314875D+00  0.561021D+00  0.112495D+01 -0.180855D+01
      3  -0.314875D+00  0.165347D+01 -0.631783D+00 -0.180855D+01  0.260507D+01
               196           197           198           199           200 
      1  -0.256330D+01 -0.219290D+00  0.254857D+01  0.144472D+01 -0.139990D+01
      2  -0.219290D+00 -0.219356D+01  0.218583D+01 -0.139990D+01  0.148055D+01
      3   0.254857D+01  0.218583D+01 -0.676378D+01  0.100963D+00  0.318414D+00
               201           202           203           204           205 
      1   0.100963D+00 -0.350943D+01  0.369566D+01  0.772558D+00  0.174996D+00
      2   0.318414D+00  0.369566D+01 -0.987210D+01 -0.165453D+01  0.478955D+00
      3   0.465167D+00  0.772558D+00 -0.165453D+01 -0.137295D+01  0.942840D+00
               206           207           208           209           210 
      1   0.478955D+00  0.942840D+00  0.922367D+01  0.121717D+01  0.347449D+01
      2  -0.137587D+01 -0.976266D+00  0.121717D+01  0.130071D+01  0.382111D+00
      3  -0.976266D+00 -0.960947D+00  0.347449D+01  0.382111D+00  0.230789D+01
               211           212           213           214           215 
      1   0.327752D+01  0.184229D+01  0.100770D+01  0.682023D+01  0.573001D+00
      2   0.184229D+01  0.188285D+00  0.465845D+00  0.573001D+00  0.959189D+00
      3   0.100770D+01  0.465845D+00  0.127232D+01  0.338707D+01  0.852622D+00
               216           217           218           219           220 
      1   0.338707D+01 -0.623783D+01 -0.127037D-01  0.314437D+01  0.262710D+00
      2   0.852622D+00 -0.127037D-01 -0.163206D+01  0.118807D+01 -0.811730D+00
      3   0.278567D+01  0.314437D+01  0.118807D+01 -0.377672D+01  0.442244D+00
               221           222           223           224           225 
      1  -0.811730D+00  0.442244D+00  0.268973D+01  0.467100D+00 -0.202810D+01
      2  -0.697943D+00  0.322520D+00  0.467100D+00  0.449426D+00 -0.135615D+00
      3   0.322520D+00  0.374305D+00 -0.202810D+01 -0.135615D+00  0.341084D+01
               226           227           228           229           230 
      1   0.449651D+01  0.302849D+00  0.435957D+01  0.161789D+01  0.106788D+01
      2   0.302849D+00  0.142145D+01  0.108938D+00  0.106788D+01  0.800798D-01
      3   0.435957D+01  0.108938D+00  0.514024D+01  0.137518D+01  0.810372D+00
               231           232           233           234           235 
      1   0.137518D+01  0.346008D+01  0.296916D+00  0.390156D+01  0.698377D+00
      2   0.810372D+00  0.296916D+00  0.703786D+00  0.622025D+00 -0.142360D+01
      3   0.277125D+01  0.390156D+01  0.622025D+00  0.709804D+01  0.757193D+00
               236           237           238           239           240 
      1  -0.142360D+01  0.757193D+00 -0.171490D+01  0.214895D+01 -0.246883D+00
      2   0.192321D+01 -0.181480D+00  0.214895D+01 -0.113404D+02  0.134807D+01
      3  -0.181480D+00  0.639212D+00 -0.246883D+00  0.134807D+01 -0.177845D+01
               241           242           243 
      1   0.154124D+00  0.350043D+00  0.311515D+00
      2   0.350043D+00 -0.122468D+01 -0.549918D+00
      3   0.311515D+00 -0.549918D+00 -0.345444D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.225568D+01  0.142047D+01  0.233317D+01  0.324412D+01 -0.787223D+01
      2   0.129248D+02 -0.199175D+00  0.426240D+01  0.228158D+01 -0.585208D+01
      3   0.108221D+01 -0.843532D+01 -0.304407D+01  0.185841D+00  0.998276D+01
                 6             7             8             9            10 
      1  -0.390431D+01  0.587971D+01  0.429271D+01  0.256067D+01 -0.541163D+01
      2   0.399211D+01 -0.298699D+01  0.447906D+01 -0.379036D+01 -0.325931D+01
      3   0.396481D+01 -0.324607D+01  0.405104D+01 -0.489811D+01 -0.260874D+01
                11            12            13            14            15 
      1  -0.309325D+01  0.764056D+00  0.191127D+01  0.536806D+01 -0.144291D+02
      2  -0.440803D+01  0.133474D+01 -0.448735D+01 -0.239383D+00  0.177866D+01
      3  -0.286366D+01  0.551310D+01  0.915505D+01  0.243347D+00  0.127268D+01
                16            17            18            19            20 
      1  -0.772848D+01 -0.997791D+00 -0.264079D+01  0.576980D+01  0.561029D+01
      2  -0.819616D+01  0.508657D+01 -0.683474D+01  0.672220D+01 -0.158468D+01
      3   0.470915D+01  0.347289D+01 -0.107810D+00 -0.429129D+00 -0.543108D+01
                21            22            23            24            25 
      1   0.553068D+01 -0.113865D+01  0.266774D+01  0.795657D+01  0.639654D+01
      2   0.144324D+02 -0.111200D+01 -0.118099D+01 -0.103895D+02  0.502614D+01
      3   0.641413D+00  0.943627D-01 -0.140497D+00 -0.193271D+01  0.116980D+01
                26            27            28            29            30 
      1   0.129130D+02 -0.141511D+01 -0.681178D+01 -0.846205D+01 -0.142206D+01
      2  -0.970850D+01  0.109795D+01 -0.251792D+01 -0.234780D+01  0.617503D+01
      3  -0.220371D+01  0.648090D+00 -0.109551D+02 -0.158782D+02  0.780370D+01
                31            32            33            34            35 
      1  -0.748387D+01 -0.344675D+01 -0.138446D+02 -0.514475D+00 -0.700584D+01
      2  -0.306332D+00  0.631915D+01  0.410505D+01  0.920096D+00  0.303895D+01
      3  -0.447621D+01  0.155401D+02  0.665566D+00  0.665310D+01  0.213784D+01
                36            37            38            39            40 
      1   0.829716D+01  0.520707D+01  0.111866D+01  0.608971D+00  0.242671D+00
      2  -0.537074D+01 -0.773364D+01 -0.142632D+01  0.497884D+01 -0.182674D+01
      3  -0.206456D+01  0.697318D+01 -0.285235D+01 -0.517362D+01  0.724415D+01
                41            42            43            44            45 
      1   0.728868D+01  0.195827D+01 -0.999250D+00  0.105175D+02 -0.102667D+02
      2   0.244256D+01 -0.156600D+01 -0.288076D+01 -0.131849D+01  0.412300D+01
      3  -0.128668D+02 -0.197433D+01 -0.426349D+01 -0.256057D+01 -0.104727D+00
                46            47            48            49            50 
      1   0.396455D+01  0.181149D+01  0.544945D+01  0.438900D+01 -0.158374D+02
      2  -0.389817D+01  0.935674D+01 -0.286433D+01  0.787761D+01 -0.310390D+01
      3   0.583350D+00  0.149313D+01 -0.894135D+01  0.563609D+01  0.209547D+01
                51            52            53            54            55 
      1  -0.157928D+01  0.196683D+01  0.120309D+02  0.163061D+02 -0.655642D+01
      2  -0.762981D+00 -0.116569D+02  0.152346D+01  0.649382D+01  0.352856D+01
      3  -0.345257D+01 -0.910166D+01 -0.359995D+01  0.406988D+00 -0.694699D+01
                56            57            58            59            60 
      1   0.764893D+01 -0.236138D+01  0.620875D+01 -0.725189D+01 -0.780625D+01
      2   0.995220D+00 -0.522254D+01  0.110025D+01 -0.860514D+01 -0.279351D+01
      3   0.464299D+01  0.678792D+01  0.801393D+01  0.252116D+01  0.156958D+01
                61            62            63            64            65 
      1  -0.896062D+00  0.642850D+01  0.155795D+02  0.878385D+01 -0.198872D+01
      2  -0.101359D+02  0.161533D+00  0.931937D+01 -0.260938D+01  0.594443D+01
      3   0.478448D+01 -0.372503D+00  0.366445D+01 -0.247041D+01 -0.115162D+02
                66            67            68            69            70 
      1   0.490779D+01 -0.354133D+01 -0.940618D+01  0.106947D+02  0.416985D+01
      2   0.998994D+01  0.336036D+01  0.248770D+01 -0.494954D+01  0.342186D+01
      3  -0.163966D+02 -0.259976D+01  0.196005D+01  0.945525D+00 -0.132392D+02
                71            72            73            74            75 
      1   0.195781D+02 -0.305454D+01 -0.118932D+00 -0.478818D+00 -0.581993D+01
      2  -0.694351D+01  0.865433D+00  0.378094D+01  0.526712D+00  0.160037D+02
      3  -0.185216D+00 -0.368199D-01 -0.402547D+01 -0.172329D+02  0.221433D+00
                76            77            78            79            80 
      1  -0.311146D+01  0.328889D+01 -0.195374D+01  0.110535D+01 -0.145318D+01
      2  -0.224599D+01  0.292126D+01  0.407661D+01  0.499116D+01  0.437278D+00
      3  -0.333100D+01 -0.863998D+01  0.549482D+00  0.106057D+01  0.112548D+01
                81            82            83            84            85 
      1  -0.604411D+01 -0.320486D+01  0.550814D-02 -0.231101D+01 -0.275045D+00
      2  -0.204234D+01 -0.154043D+02 -0.895705D+00 -0.636163D+01 -0.243213D+01
      3  -0.304719D+01  0.715807D+01  0.531118D+01  0.420652D+01  0.156779D+02
                86            87            88            89            90 
      1   0.114154D+01 -0.572047D+01 -0.539859D+01 -0.743021D+00  0.394899D+01
      2   0.766178D+01 -0.105342D+02 -0.165568D+02 -0.918216D+01  0.114062D+02
      3  -0.197772D+02 -0.810008D+01  0.577231D+01 -0.719368D+01  0.126427D+02
                91            92            93            94            95 
      1  -0.110677D+02 -0.548435D+01 -0.451941D+01 -0.759470D+01  0.205783D+02
      2  -0.140432D+02 -0.892834D+00  0.164429D+02  0.163956D-01  0.615526D+01
      3  -0.413242D+01  0.143008D+00  0.114707D+02  0.574267D+01 -0.562678D+01
                96            97            98            99           100 
      1  -0.698173D+01 -0.493393D+01  0.344485D+01 -0.110502D+02  0.479151D+00
      2  -0.186774D+01  0.812391D+01 -0.239124D+01  0.366155D+01  0.785991D+01
      3   0.217875D-01  0.916905D+01 -0.203783D+01  0.653250D+01  0.125290D+01
               101           102           103           104           105 
      1  -0.582599D+01 -0.269875D+01 -0.399443D+00  0.450751D+01 -0.473887D+00
      2  -0.182598D+01 -0.402695D+01 -0.327907D+01  0.175108D+01  0.231087D+01
      3  -0.174187D+01 -0.119444D+01  0.865070D+00  0.299224D+00  0.249223D+00
               106           107           108           109           110 
      1  -0.202643D+01  0.619779D+01  0.369601D+01 -0.475305D+00  0.456773D+01
      2  -0.724739D+01  0.177098D+01  0.415018D+01 -0.135728D+02  0.186323D+01
      3  -0.411520D+00  0.175300D+01  0.823398D+00 -0.378059D+01 -0.217429D+01
               111           112           113           114           115 
      1  -0.382343D+00  0.118401D+01 -0.209475D+01 -0.568104D+00  0.957726D-01
      2  -0.541198D+01  0.300753D+01 -0.196574D+01  0.237204D+01 -0.672714D+01
      3  -0.211213D+01  0.194123D+01  0.285711D+00  0.761271D+00 -0.196720D+01
               116           117           118           119           120 
      1   0.217462D+01  0.545086D+00 -0.365186D+00  0.382407D+01  0.350658D+01
      2   0.184714D+01 -0.425717D+01 -0.233788D+01  0.281980D+01  0.939068D-02
      3  -0.668694D+00 -0.175085D+01 -0.596162D+01  0.780430D+01 -0.224121D+01
               121           122           123           124           125 
      1   0.224865D+01 -0.658924D+01 -0.535242D+01  0.103101D+01  0.322609D+00
      2   0.260303D+01 -0.421635D+01  0.558275D+00 -0.177930D+01  0.116575D+01
      3   0.953992D+01 -0.125539D+02  0.183088D+01 -0.117682D+01  0.732312D+00
               126           127           128           129           130 
      1  -0.712986D+00  0.350304D+01 -0.104728D+01 -0.575166D+01  0.329516D+00
      2  -0.196631D+00  0.770838D+01  0.182245D+01  0.218522D+01  0.102988D+01
      3  -0.212411D+01  0.181854D+02  0.178189D+01 -0.481068D+01  0.355245D+01
               131           132           133           134           135 
      1   0.673800D+00 -0.109625D+01 -0.312507D+01  0.164051D+01  0.217574D+01
      2   0.721486D+00  0.270046D+00 -0.267417D+01 -0.673700D+00 -0.332783D+00
      3   0.121236D+01 -0.130412D+01 -0.508724D+01 -0.879732D+00  0.367751D+01
               136           137           138           139           140 
      1  -0.152142D+01  0.393883D+00  0.313726D+01  0.357001D+00 -0.165332D+01
      2  -0.150690D+01  0.755573D+00  0.179069D+01  0.595039D+00 -0.148520D+00
      3   0.411446D+00 -0.249732D+01  0.751650D+00  0.338620D-02 -0.162882D+01
               141           142           143           144           145 
      1   0.465913D+01  0.327907D+01  0.168468D+01 -0.215430D+02  0.405985D+01
      2   0.278403D+01 -0.361375D+01 -0.149770D+01 -0.122547D+02  0.403518D+01
      3   0.114716D+01  0.302999D+01  0.236225D+01 -0.311056D+01 -0.142231D+01
               146           147           148           149           150 
      1  -0.814685D+01  0.138389D+00 -0.506321D+01  0.137198D+02 -0.278967D+01
      2  -0.420290D+01  0.273026D+01 -0.471457D+01  0.665641D+01 -0.124059D+01
      3  -0.284035D+01 -0.107885D+01  0.475636D+01  0.533906D+01 -0.418193D+00
               151           152           153           154           155 
      1   0.157525D+01 -0.400653D+01  0.503096D+00 -0.246585D+01  0.141401D+01
      2   0.110306D+01 -0.224239D+01  0.663570D+00 -0.226695D+01 -0.653792D+00
      3  -0.140572D+01 -0.139613D+01  0.344522D+00  0.624999D+01 -0.528389D+00
               156           157           158           159           160 
      1  -0.435817D+01 -0.607505D+00 -0.206738D+00 -0.476149D+01 -0.224804D+01
      2   0.225458D+01 -0.179050D+01 -0.293610D+00  0.166216D+01 -0.249804D+01
      3   0.345610D+01  0.371274D+01  0.783499D+00  0.723500D+00  0.464221D+01
               161           162           163           164           165 
      1   0.358685D+00 -0.478102D+01 -0.542701D+01  0.182245D+01 -0.709076D+01
      2   0.128990D+01  0.265889D+01 -0.663779D+01 -0.118583D+01  0.230610D+00
      3  -0.721578D+00  0.169561D+01  0.134087D+02 -0.368741D+00  0.797000D+01
               166           167           168           169           170 
      1   0.146885D+00 -0.621049D-01 -0.171611D+01 -0.537688D+01 -0.214854D+00
      2  -0.643461D+00 -0.115115D+01  0.826127D-01 -0.448465D+01 -0.736179D-01
      3   0.170332D+01  0.165400D+01  0.731657D+00  0.819531D+01  0.300563D+00
               171           172           173           174           175 
      1  -0.618335D+01  0.147960D+01  0.252577D+01 -0.160731D+01  0.251383D+01
      2  -0.616917D-01 -0.625189D+00 -0.202467D+01  0.131543D+01 -0.711592D+00
      3   0.565821D+01  0.101863D+01  0.100865D+01  0.140782D+00  0.448453D+01
               176           177           178           179           180 
      1   0.137630D+02 -0.121316D+02 -0.142793D+01 -0.111327D+02  0.137345D+02
      2  -0.329469D+01  0.264589D+01 -0.476307D+00  0.329843D+01 -0.394350D+01
      3  -0.252492D+01  0.811572D+00 -0.284432D+01  0.178845D+01 -0.129048D+01
               181           182           183           184           185 
      1  -0.330547D+01 -0.186126D+01  0.468885D+01  0.495191D+00  0.732599D+00
      2   0.873290D+01 -0.363399D+01 -0.345132D+01 -0.269340D+01  0.236693D+01
      3  -0.118916D+02  0.392176D+01  0.700786D+01  0.522725D+01 -0.360656D+01
               186           187           188           189           190 
      1  -0.352306D+01  0.216600D+01 -0.464038D+00 -0.479085D+01 -0.114868D+01
      2   0.160414D+01 -0.631570D+01  0.298760D+01  0.352597D+01 -0.224361D+01
      3  -0.290502D+01  0.732063D+01 -0.258634D+01 -0.522264D+01 -0.272094D+01
               191           192           193           194           195 
      1  -0.730218D+00  0.698701D+00 -0.870927D-01 -0.279501D+01  0.162629D+01
      2  -0.301207D+00  0.419755D+01  0.526692D+00 -0.536709D+01  0.826716D+01
      3  -0.208721D+01  0.157381D+01 -0.423833D+00 -0.514165D+01  0.594075D+01
               196           197           198           199           200 
      1   0.109932D+01  0.539902D+01 -0.448707D+01  0.384969D+00 -0.608418D+00
      2   0.134028D+01  0.720089D+01 -0.193604D+02  0.370423D+00  0.320484D+00
      3   0.784380D+00  0.782453D+01 -0.783566D+01  0.286938D+01 -0.411140D+01
               201           202           203           204           205 
      1   0.662594D+00  0.106835D+00  0.158012D+01 -0.404552D+01  0.440336D+00
      2   0.205772D+01  0.958114D+00 -0.428771D+01 -0.490339D+01  0.108773D+01
      3  -0.801172D+00 -0.287526D+01  0.250282D+02  0.401795D+01 -0.874144D+00
               206           207           208           209           210 
      1   0.853162D+00 -0.884000D+00  0.231683D+01  0.114824D+01  0.110550D+01
      2  -0.211935D+01 -0.259215D+01  0.958047D+01  0.187989D+01  0.102643D+02
      3   0.407183D+01  0.190265D+01 -0.813640D+01 -0.713201D+01 -0.341645D+01
               211           212           213           214           215 
      1   0.977617D+00  0.822413D+00 -0.282077D+00  0.264857D+01  0.201800D+01
      2   0.265418D+01  0.121754D+01  0.429148D+01  0.698089D+01  0.240616D+01
      3  -0.465508D+01 -0.212045D+01 -0.155625D+01 -0.499109D+01 -0.445846D+01
               216           217           218           219           220 
      1   0.107284D+01  0.529942D+01 -0.401002D+01 -0.271495D+01 -0.194428D+01
      2   0.903981D+01  0.188674D+02 -0.561213D+00 -0.635592D+01 -0.804776D+00
      3  -0.422340D+01  0.995773D+01 -0.213574D+01 -0.435646D+01  0.630247D+00
               221           222           223           224           225 
      1  -0.871574D-01  0.143947D+00 -0.229764D+01  0.218122D+01  0.349290D+01
      2   0.237142D+01 -0.427856D+00 -0.926846D+01 -0.637521D+00  0.528608D+01
      3   0.149432D+01 -0.836297D+00 -0.413216D+01  0.312742D+00  0.262379D+01
               226           227           228           229           230 
      1   0.605000D+01  0.493551D+01  0.631407D+01  0.343812D+01  0.186829D+01
      2  -0.578115D+01 -0.107891D+01 -0.697868D+00 -0.242036D+01 -0.988801D+00
      3  -0.483313D+01 -0.393867D+01 -0.470846D+01 -0.168340D+01 -0.161332D+01
               231           232           233           234           235 
      1   0.350354D+01  0.526419D+01  0.505377D+01  0.949618D+01 -0.167352D+01
      2   0.671445D+00 -0.678659D+01 -0.451253D-01  0.126743D+00 -0.254654D-01
      3  -0.208742D+01 -0.452129D+01 -0.240015D+01 -0.513207D+01  0.273008D+00
               236           237           238           239           240 
      1   0.349020D+01  0.119167D+01  0.380562D+01 -0.218055D+02 -0.443531D+01
      2   0.204590D+01  0.589386D+00  0.345762D+01 -0.237743D+01 -0.203735D+01
      3  -0.115307D+01 -0.379325D+00  0.389101D+01  0.869092D+01 -0.984380D+00
               241           242           243 
      1   0.745773D+00 -0.225984D+01 -0.244514D+01
      2  -0.723085D+00 -0.749649D+00 -0.103333D+01
      3  -0.290935D-01  0.133161D+01  0.328618D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.149385D+02  0.515659D+01  0.191993D+02  0.703874D+01  0.102125D+02
      2  -0.254995D+00 -0.379928D+01 -0.120024D+02 -0.557885D+01 -0.203881D+01
      3   0.151935D+02 -0.135731D+01 -0.719694D+01 -0.145989D+01 -0.817372D+01
      4   0.785265D-01  0.547164D+01 -0.664966D+01  0.713354D+01 -0.162068D+02
      5   0.169342D+02 -0.134279D+01  0.100939D+02  0.131642D+01  0.523643D+00
      6  -0.993416D+01  0.296165D+01 -0.162820D+01  0.426937D+01 -0.649937D+01
                 6             7             8             9            10 
      1  -0.577830D+01  0.236325D+02 -0.366276D+01  0.129779D+02  0.202640D+01
      2  -0.478059D+01 -0.126975D+02 -0.228032D+01 -0.571700D+01 -0.158577D+01
      3   0.105589D+02 -0.109350D+02  0.594309D+01 -0.726095D+01 -0.440635D+00
      4  -0.671007D+00 -0.561816D+01  0.328726D-01  0.282820D+01  0.779793D+01
      5   0.800825D+01  0.128620D+02  0.691847D+01 -0.227790D+01 -0.321403D+01
      6  -0.525079D+01 -0.211437D+01 -0.591043D+01  0.410661D+01  0.901321D+01
                11            12            13            14            15 
      1   0.624796D+01  0.160837D+01  0.100118D+02 -0.834797D+00 -0.174145D+02
      2  -0.232992D+01  0.535913D+01  0.397443D+00  0.928432D+01 -0.425959D+01
      3  -0.391804D+01 -0.696750D+01 -0.104092D+02 -0.844952D+01  0.216741D+02
      4   0.345232D+01  0.368306D+01  0.210130D+00  0.238703D+01 -0.167915D+01
      5  -0.269536D+01  0.502022D+01 -0.320191D+01 -0.248192D+01 -0.550673D+01
      6  -0.211301D+01  0.131203D+01 -0.709865D+00  0.389205D+01 -0.518908D+01
                16            17            18            19            20 
      1  -0.198281D+02 -0.885902D+01 -0.251426D+01  0.882950D+01 -0.339720D+01
      2   0.766528D+01 -0.431803D+01  0.500753D+00  0.160868D+02 -0.147084D+02
      3   0.121628D+02  0.131771D+02  0.201351D+01 -0.249163D+02  0.181056D+02
      4   0.845588D+01 -0.582900D+01  0.328317D+01  0.537236D+01 -0.355015D+01
      5   0.225873D+01 -0.273884D+00  0.592854D-01 -0.123793D+02  0.378428D+01
      6  -0.151503D+00  0.369759D+00  0.137237D+02  0.558894D+01 -0.827256D+00
                21            22            23            24            25 
      1  -0.117076D+02 -0.151838D+02 -0.748685D+01  0.181570D+02 -0.238203D+01
      2  -0.612095D+01 -0.929204D+01 -0.799193D+01  0.106230D+01 -0.780035D+01
      3   0.178285D+02  0.244758D+02  0.154788D+02 -0.192193D+02  0.101824D+02
      4   0.413726D+01 -0.343793D+01 -0.430953D+01 -0.268764D+01  0.191255D+01
      5  -0.277462D+02  0.765343D+01  0.342916D+01  0.146548D+02 -0.191199D+02
      6   0.127643D+02 -0.362865D+01 -0.505755D+01  0.772960D+01  0.100223D+02
                26            27            28            29            30 
      1   0.840216D+01  0.490752D+01 -0.654890D+01 -0.199581D+02  0.791527D+01
      2   0.153003D+01  0.166347D+02 -0.861625D+01  0.318528D+02  0.147950D+01
      3  -0.993219D+01 -0.215423D+02  0.151651D+02 -0.118947D+02 -0.939477D+01
      4  -0.233432D+01  0.495752D+01 -0.240119D+02 -0.160307D+02  0.163191D+02
      5   0.103277D+02  0.446529D+01  0.153403D+02  0.103356D+02 -0.351128D+01
      6   0.590050D+01 -0.618642D+01  0.197893D+02 -0.176216D+01 -0.670245D+01
                31            32            33            34            35 
      1  -0.125889D+02  0.204062D+02 -0.630299D-01  0.634595D+01  0.155751D+01
      2   0.220600D+02 -0.301264D+02  0.121307D+02  0.518462D+00  0.929410D+01
      3  -0.947102D+01  0.972020D+01 -0.120677D+02 -0.686442D+01 -0.108516D+02
      4  -0.494908D+01  0.155138D+02  0.275233D+01  0.133095D+02  0.391842D+01
      5   0.371833D+01 -0.429433D+01  0.175582D+00 -0.599320D+01  0.689987D+00
      6  -0.183732D+01  0.118219D+02  0.209944D+01 -0.417009D+01  0.275011D+01
                36            37            38            39            40 
      1  -0.979283D+01  0.953421D-01  0.404197D+01 -0.116343D+01  0.354820D+01
      2   0.769010D+01  0.254434D+01 -0.109632D+02 -0.404419D+01 -0.748418D+01
      3   0.210273D+01 -0.263968D+01  0.692119D+01  0.520762D+01  0.393598D+01
      4   0.350420D+01  0.435121D+00 -0.101414D+02 -0.155872D+02 -0.907275D+01
      5  -0.174504D+01 -0.759039D+01 -0.114121D+02 -0.129809D+02 -0.598386D+01
      6  -0.121197D+02 -0.168852D+02 -0.140976D+02 -0.447622D+01 -0.106796D+02
                41            42            43            44            45 
      1  -0.107691D+02 -0.577644D+00 -0.382981D+01 -0.126408D+01  0.369047D+01
      2   0.144730D+02 -0.136222D+01  0.988634D+00 -0.460808D+00 -0.103081D+02
      3  -0.370391D+01  0.193987D+01  0.284118D+01  0.172489D+01  0.661768D+01
      4  -0.390653D+01 -0.706895D+01 -0.117276D+02 -0.629961D+01 -0.154582D+02
      5  -0.722264D+01 -0.945319D+01 -0.105938D+02 -0.126184D+02 -0.785574D+01
      6   0.926260D+00 -0.112601D+02 -0.874674D+01 -0.150913D+02  0.300253D+01
                46            47            48            49            50 
      1  -0.716678D+02 -0.887113D+01  0.427250D+01 -0.242066D+02  0.280656D+01
      2   0.342807D+02 -0.301106D+01 -0.487396D+01  0.112006D+02 -0.616207D+01
      3   0.373871D+02  0.118822D+02  0.601459D+00  0.130060D+02  0.335551D+01
      4  -0.186346D+02 -0.122459D+02  0.372478D+01 -0.950097D+00 -0.561094D+01
      5   0.683544D+01  0.633441D+01 -0.126020D+02  0.396208D+01  0.665038D+00
      6   0.783087D+00  0.120419D+01 -0.821072D+01  0.380131D+01 -0.695368D+01
                51            52            53            54            55 
      1   0.171645D+02  0.158290D+01  0.140335D+02  0.530511D+00  0.323352D+01
      2  -0.514977D+00  0.207287D+01 -0.834890D+01 -0.224248D+01 -0.912376D+01
      3  -0.166495D+02 -0.365577D+01 -0.568465D+01  0.171197D+01  0.589024D+01
      4   0.270211D+01 -0.972248D+00  0.537890D+01 -0.364372D+01  0.374154D+01
      5  -0.678584D+01  0.474647D+01 -0.128133D+01 -0.146669D+00 -0.208723D+01
      6  -0.508674D+01 -0.769352D+00 -0.330593D+00 -0.854814D+01  0.522650D+01
                56            57            58            59            60 
      1  -0.931067D+01 -0.900020D+01  0.209601D+01 -0.244785D+01 -0.116216D+02
      2   0.219968D+02  0.233600D+01  0.123007D+02 -0.154753D+02 -0.709346D+00
      3  -0.126861D+02  0.666421D+01 -0.143967D+02  0.179231D+02  0.123310D+02
      4  -0.183194D+02  0.146585D+00 -0.109445D+02  0.235943D+02 -0.160526D+01
      5  -0.232449D+01 -0.719347D+00 -0.151295D-01  0.416939D+01 -0.695666D-01
      6   0.126823D+02  0.439757D+01  0.516510D+01  0.167157D+01  0.117859D+02
                61            62            63            64            65 
      1   0.317355D+01 -0.404911D+01  0.137613D+02  0.750407D+01 -0.752648D+01
      2  -0.751030D+01  0.110470D+02  0.208770D+02  0.561930D+01  0.325177D+01
      3   0.433675D+01 -0.699787D+01 -0.346383D+02 -0.131234D+02  0.427472D+01
      4   0.430219D+01 -0.453233D+01  0.847278D+01 -0.732652D+01 -0.125493D+02
      5   0.945744D+00  0.134141D+01  0.185303D+02 -0.122161D+02 -0.108396D+02
      6   0.214477D+01  0.734011D+01 -0.118795D+02 -0.280010D+02  0.100468D+02
                66            67            68            69            70 
      1  -0.131599D+02 -0.758969D+01 -0.112439D+01 -0.271641D+01 -0.112765D+02
      2   0.155346D+02  0.183075D+01 -0.843642D+01  0.236155D+02  0.144120D+02
      3  -0.237472D+01  0.575893D+01  0.956080D+01 -0.208991D+02 -0.313550D+01
      4  -0.252509D+02 -0.993120D+01  0.174711D+01  0.118339D+02 -0.227058D+02
      5  -0.239692D+02 -0.633888D+01  0.963278D+01  0.339545D+00 -0.206520D+02
      6  -0.818610D+00  0.985963D+01  0.178620D+02 -0.951981D+01 -0.355717D+00
                71            72            73            74            75 
      1  -0.725399D+01  0.477766D+01  0.132934D+03  0.175239D+02 -0.493506D+01
      2   0.279097D+02 -0.102642D+02 -0.641495D+02 -0.399953D+01  0.361336D+01
      3  -0.206557D+02  0.548651D+01 -0.687847D+02 -0.135243D+02  0.132170D+01
      4   0.128286D+02 -0.618027D+01  0.240715D+02  0.281394D+02 -0.226153D+01
      5  -0.127477D+01 -0.196962D+01 -0.965480D+01 -0.325636D+01  0.254717D+02
      6  -0.139865D+02 -0.894871D+01 -0.610180D+01 -0.341259D+01  0.530948D+01
                76            77            78            79            80 
      1   0.215576D+02  0.161896D+02 -0.420259D+01  0.281270D+01 -0.321973D+01
      2  -0.928749D+01 -0.708669D+00  0.203444D+01  0.186687D+01  0.139559D+01
      3  -0.122701D+02 -0.154810D+02  0.216814D+01 -0.467957D+01  0.182414D+01
      4   0.307977D+02  0.163772D+02 -0.400760D+01 -0.425613D+01 -0.271340D+01
      5  -0.624274D+01 -0.476976D+01  0.737192D+01  0.257250D+02  0.588091D+01
      6  -0.441947D+01 -0.255272D+01  0.748209D+01  0.320448D+01  0.572170D+01
                81            82            83            84            85 
      1   0.122351D+02 -0.680801D+01 -0.158223D+02 -0.335098D+02 -0.233151D+02
      2  -0.125585D+02  0.683058D+01  0.118022D+02  0.173181D+02  0.195818D+02
      3   0.323397D+00 -0.225682D-01  0.402011D+01  0.161917D+02  0.373334D+01
      4   0.495686D+01 -0.140248D+02 -0.911660D+01  0.155831D+01 -0.144978D+02
      5  -0.567908D+01 -0.335929D+02 -0.161674D+01 -0.153345D+02 -0.580008D+01
      6  -0.798540D+00  0.581193D+01  0.138946D+01  0.125309D+01  0.193657D+01
                86            87            88            89            90 
      1  -0.181752D+01 -0.461667D+00 -0.400835D+02 -0.700914D+00 -0.192099D+02
      2  -0.133896D+02 -0.357651D+01  0.203661D+02 -0.407208D+01  0.152516D+02
      3   0.152071D+02  0.403818D+01  0.197174D+02  0.477300D+01  0.395829D+01
      4   0.371962D+02  0.101629D+02 -0.149053D+01  0.939832D+01 -0.133182D+02
      5   0.101231D+02 -0.168233D+02 -0.221214D+02 -0.155367D+02  0.132109D+02
      6  -0.760928D+01  0.194453D+01  0.133063D+01  0.212191D+01 -0.179210D+01
                91            92            93            94            95 
      1   0.153305D+02 -0.275245D+01 -0.128905D+02 -0.545758D+01  0.539205D+01
      2   0.148244D+02  0.114710D+02  0.183091D+02  0.152891D+02 -0.331376D+02
      3  -0.301549D+02 -0.871856D+01 -0.541859D+01 -0.983152D+01  0.277456D+02
      4  -0.791299D+01 -0.300438D+01  0.922833D+01 -0.377660D+01  0.206634D+02
      5  -0.499248D+01 -0.314167D+01 -0.306855D+02 -0.655027D+01 -0.416974D+01
      6   0.696246D+01 -0.349217D+01 -0.501171D+01 -0.576786D+01  0.170649D+02
                96            97            98            99           100 
      1   0.701883D+01 -0.111294D+02  0.841050D+01 -0.121863D+02 -0.237985D+01
      2   0.999297D+01  0.182171D+02  0.157320D+01  0.189425D+02 -0.121036D+02
      3  -0.170118D+02 -0.708772D+01 -0.998370D+01 -0.675626D+01  0.144835D+02
      4   0.213321D+01  0.834863D+01  0.553647D+01 -0.361517D+01 -0.177335D+01
      5  -0.135173D+02 -0.292521D+02 -0.965187D+01 -0.129485D+02 -0.132062D+02
      6   0.105459D+02 -0.187375D+01  0.119667D+02 -0.126195D+02 -0.487688D-01
               101           102           103           104           105 
      1  -0.258566D+00  0.988543D+01  0.404619D+01 -0.383621D+01 -0.106915D+02
      2   0.551316D+01  0.151761D+02  0.445731D+01 -0.172332D+01 -0.854002D+01
      3  -0.525460D+01 -0.250615D+02 -0.850350D+01  0.555953D+01  0.192315D+02
      4   0.289821D+01 -0.341146D-01  0.213714D+01 -0.145160D+01 -0.129832D+01
      5   0.308163D+01  0.192415D+02  0.366934D+01 -0.464364D+01 -0.605729D+01
      6  -0.580948D+01 -0.157962D+01 -0.305388D+01  0.655546D+01  0.746427D+01
               106           107           108           109           110 
      1   0.584685D+01 -0.332349D+01 -0.219418D+02  0.463739D+01  0.255330D+01
      2   0.101437D+02 -0.469650D+01 -0.278973D+02 -0.156742D+02  0.123337D+01
      3  -0.159906D+02  0.801999D+01  0.498391D+02  0.110368D+02 -0.378667D+01
      4  -0.883608D-01 -0.185283D+01 -0.172213D+01 -0.114612D+02  0.717849D+01
      5   0.154131D+02 -0.458823D+01 -0.181203D+02  0.286867D+02 -0.607244D+01
      6  -0.147004D+01  0.718697D+01  0.206828D+01 -0.935461D+01  0.933439D+01
               111           112           113           114           115 
      1  -0.338993D+01  0.179366D+01 -0.192965D+01  0.250411D+01 -0.210964D+01
      2  -0.132061D+02  0.181912D+01  0.207909D+01  0.497061D+00 -0.779595D+01
      3   0.165961D+02 -0.361278D+01 -0.149441D+00 -0.300117D+01  0.990559D+01
      4  -0.866195D+01  0.761318D+01 -0.296297D+01  0.427108D+01 -0.530507D+01
      5   0.259086D+02 -0.593514D+01  0.487213D+01 -0.620596D+01  0.171706D+02
      6  -0.113753D+02  0.654759D+01 -0.667186D+01  0.890708D+01 -0.739384D+01
               116           117           118           119           120 
      1   0.194860D+01 -0.853441D+01 -0.336306D+01  0.152014D+02 -0.469274D+01
      2  -0.599309D-01 -0.148525D+02  0.109312D+02 -0.274004D+02  0.313910D+01
      3  -0.188867D+01  0.233869D+02 -0.756811D+01  0.121989D+02  0.155364D+01
      4   0.264495D+01 -0.624831D+01 -0.680501D+01  0.143191D+02 -0.383149D+01
      5  -0.497967D+01  0.166934D+02  0.139865D+01 -0.465604D+01  0.284895D+01
      6   0.635247D+01 -0.941540D+01 -0.674911D+01  0.106762D+02 -0.620225D+01
               121           122           123           124           125 
      1   0.884422D+01 -0.379665D+02  0.749006D+01 -0.159941D+01  0.450976D+01
      2  -0.145972D+02  0.687965D+02 -0.986420D+01  0.924378D-01 -0.442482D+01
      3   0.575301D+01 -0.308300D+02  0.237414D+01  0.150697D+01 -0.849317D-01
      4   0.117026D+02 -0.100121D+02  0.729438D+00 -0.211285D+01  0.389041D+00
      5  -0.388027D+01  0.305291D+01 -0.843496D+00  0.268596D+01 -0.861992D+00
      6   0.452663D+01 -0.251693D+02  0.135499D+02 -0.298571D+01  0.121552D+02
               126           127           128           129           130 
      1  -0.592053D+01  0.228596D+02  0.345658D+01 -0.218131D+01  0.207185D+01
      2   0.549478D+01 -0.358842D+01  0.629792D+01  0.859505D+00  0.327377D+01
      3   0.425746D+00 -0.192712D+02 -0.975450D+01  0.132180D+01 -0.534562D+01
      4  -0.277527D+01  0.385548D+02  0.241662D+02 -0.138326D+02  0.150946D+02
      5   0.120615D+01 -0.232286D+02 -0.107105D+02  0.131966D+02 -0.530248D+01
      6  -0.369930D+01 -0.174270D+02 -0.119086D+02  0.134815D+02 -0.657211D+01
               131           132           133           134           135 
      1  -0.157321D+01  0.779059D+00 -0.298859D+01  0.949809D+00  0.116279D+01
      2   0.103834D+02 -0.362480D+01  0.241747D+01 -0.324509D+01 -0.423107D+01
      3  -0.881017D+01  0.284574D+01  0.571118D+00  0.229528D+01  0.306828D+01
      4   0.106056D+02 -0.546142D+01 -0.112596D+02 -0.698535D+01  0.845233D+01
      5  -0.494154D+01  0.360705D+01  0.133155D+02  0.542547D+01 -0.867413D+01
      6  -0.882834D+01  0.548569D+01  0.101725D+02  0.804393D+01 -0.833028D+01
               136           137           138           139           140 
      1  -0.129348D+01  0.156375D+01  0.419568D+00  0.265456D+01 -0.404067D+01
      2  -0.473724D+01 -0.150982D+01  0.557616D+01 -0.373278D+01  0.155441D+01
      3   0.603072D+01 -0.539280D-01 -0.599573D+01  0.107822D+01  0.248626D+01
      4  -0.134231D+01  0.547074D+01  0.443519D+01  0.136249D+01 -0.298806D+01
      5  -0.601743D+01  0.164743D+01  0.129732D+02 -0.291508D+01 -0.247220D+01
      6   0.239823D+01 -0.313132D+01 -0.344192D+01 -0.131507D+01  0.193716D+01
               141           142           143           144           145 
      1   0.326237D+00 -0.170654D+01 -0.652291D+01 -0.297262D+02  0.756415D+01
      2   0.753474D+01  0.668072D+01  0.114364D+01 -0.279963D+02  0.682422D+01
      3  -0.786097D+01 -0.497417D+01  0.537927D+01  0.577225D+02 -0.143884D+02
      4  -0.132702D+01  0.470227D+01 -0.376493D+01 -0.894541D+01 -0.207885D+02
      5   0.447278D+01  0.117171D+02 -0.370969D+01 -0.262794D+02 -0.491926D+01
      6   0.530222D+01 -0.480112D+01  0.106707D+02  0.261456D+02  0.468538D+01
               146           147           148           149           150 
      1   0.838328D+00  0.209948D+01 -0.202547D+00 -0.159925D+02 -0.224926D+01
      2  -0.149074D+02 -0.198156D+01 -0.131019D+02  0.432554D+02  0.159360D+01
      3   0.140690D+02 -0.117923D+00  0.133044D+02 -0.272629D+02  0.655658D+00
      4   0.271373D+02  0.431182D+01  0.220644D+02 -0.355703D+02 -0.324871D+01
      5   0.728760D+01  0.516095D+01  0.530047D+01 -0.524210D+01 -0.397611D+01
      6  -0.883346D+01 -0.528407D+01 -0.696617D+01  0.146628D+02  0.811971D+01
               151           152           153           154           155 
      1   0.322291D+01 -0.326639D+00 -0.478881D+01  0.768072D+01 -0.694955D+00
      2   0.103394D+01 -0.726570D+01  0.178903D+01 -0.904816D+00  0.702469D+01
      3  -0.425685D+01  0.759234D+01  0.299978D+01 -0.677590D+01 -0.632973D+01
      4  -0.486192D+01  0.578385D+01 -0.487825D+01  0.208637D+02  0.194805D+02
      5   0.125990D+01 -0.291178D+01 -0.163087D+01  0.182944D+02  0.110622D+02
      6  -0.248554D+01  0.535814D+01  0.262201D+01  0.141644D+02  0.123082D+02
               156           157           158           159           160 
      1   0.134216D+01 -0.184471D+01 -0.628948D+01 -0.433758D+01  0.106757D+01
      2  -0.155534D+01  0.674537D+01  0.135848D+02  0.540643D+01 -0.201332D+01
      3   0.213181D+00 -0.490066D+01 -0.729531D+01 -0.106885D+01  0.945745D+00
      4   0.140022D+02  0.158074D+02  0.158667D+02  0.100596D+02  0.127848D+02
      5   0.159370D+02  0.760279D+01  0.955125D+01  0.741874D+01  0.156075D+02
      6   0.126199D+02  0.999941D+01  0.142286D+02  0.154217D+02  0.122324D+02
               161           162           163           164           165 
      1  -0.525902D+01 -0.688361D+01  0.119218D+02 -0.239139D+01  0.196529D+01
      2   0.447695D+01 -0.587085D+00 -0.123867D+02  0.620938D+01 -0.105436D+02
      3   0.782067D+00  0.747070D+01  0.464910D+00 -0.381799D+01  0.857828D+01
      4   0.114154D+02  0.135512D+02  0.257044D+02  0.151775D+02  0.178290D+02
      5   0.101763D+02  0.170719D+02  0.267382D+02  0.914637D+01  0.230613D+02
      6   0.180049D+02  0.202454D+02  0.178060D+02  0.107304D+02  0.164760D+02
               166           167           168           169           170 
      1  -0.621082D+00 -0.604707D+00 -0.105702D+01  0.335312D+01 -0.263943D+01
      2   0.346691D+01  0.291634D+01  0.111818D+01 -0.978375D+01  0.167784D+00
      3  -0.284583D+01 -0.231163D+01 -0.611562D-01  0.643063D+01  0.247165D+01
      4   0.792757D+01  0.537660D+01  0.333760D+01  0.160022D+02  0.616697D+01
      5   0.269671D+01  0.385481D+01  0.153777D+01  0.200265D+02  0.562591D+01
      6   0.439311D+01  0.275648D+01  0.635570D+01  0.120380D+02  0.122466D+02
               171           172           173           174           175 
      1  -0.451120D+01 -0.717377D+00  0.106562D+00  0.839152D+00 -0.187043D+00
      2  -0.812238D+01  0.349319D+01  0.560834D+01 -0.381619D+01  0.544734D+01
      3   0.126336D+02 -0.277581D+01 -0.571491D+01  0.297704D+01 -0.526030D+01
      4   0.122618D+02  0.532296D+01  0.102036D+02 -0.159762D+01  0.100822D+02
      5   0.184978D+02  0.667172D+00  0.362022D+00  0.498355D+01  0.484284D+00
      6   0.172410D+02  0.614650D+00 -0.211299D+01  0.208957D+01 -0.206075D+01
               176           177           178           179           180 
      1  -0.170745D+02  0.536935D+01  0.351208D+00  0.113619D+02 -0.489142D+01
      2   0.436898D+02 -0.180366D+02 -0.473708D+01 -0.297615D+02  0.129202D+02
      3  -0.266153D+02  0.126673D+02  0.438587D+01  0.183996D+02 -0.802874D+01
      4   0.116271D+02 -0.541540D+01 -0.559001D+01 -0.979429D+01  0.474968D+01
      5  -0.309663D+01  0.238594D+01  0.314522D+01  0.285620D+01 -0.359941D+01
      6  -0.839688D+01  0.126269D+02  0.148151D+01  0.107629D+02 -0.155379D+02
               181           182           183           184           185 
      1  -0.407351D+01  0.119099D+02  0.117031D+02  0.619775D+01 -0.100744D+02
      2   0.453826D+00 -0.128414D+02 -0.257119D+01 -0.651341D+01  0.125975D+02
      3   0.361969D+01  0.931518D+00 -0.913193D+01  0.315655D+00 -0.252311D+01
      4  -0.178033D+02  0.111710D+02  0.126778D+02  0.884116D+01 -0.842827D+01
      5  -0.121810D+02  0.681899D+01  0.112334D+02  0.408575D+01 -0.591651D+01
      6   0.148286D+02 -0.162412D+02 -0.170110D+02 -0.909760D+01  0.110365D+02
               186           187           188           189           190 
      1  -0.742142D+01  0.812114D+01 -0.103955D+02 -0.145495D+02  0.721496D+01
      2   0.382577D+01 -0.232724D+01  0.535420D+01  0.108373D+01 -0.637620D+01
      3   0.359565D+01 -0.579390D+01  0.504129D+01  0.134658D+02 -0.838761D+00
      4  -0.685250D+01  0.121852D+02 -0.741360D+01 -0.784678D+01  0.410105D+01
      5  -0.360861D+01  0.109462D+02 -0.382426D+01 -0.741585D+01 -0.591923D+01
      6   0.131013D+02 -0.105464D+02  0.176310D+02  0.210688D+02 -0.138497D+01
               191           192           193           194           195 
      1   0.510352D+01 -0.401083D+01  0.115191D+02 -0.209610D+00 -0.162475D+01
      2  -0.343577D+01  0.535017D+01 -0.755534D+01  0.134417D+01  0.377193D+01
      3  -0.166775D+01 -0.133934D+01 -0.396375D+01 -0.113456D+01 -0.214718D+01
      4   0.385132D+01 -0.273771D+01  0.425358D+01  0.406254D+01 -0.750665D+01
      5  -0.385417D+01  0.135040D+02 -0.506468D+01 -0.734909D+01  0.124372D+02
      6  -0.791053D+00 -0.139991D+00 -0.115483D+00 -0.220299D+01  0.237061D+01
               196           197           198           199           200 
      1  -0.120938D+02 -0.137358D+00  0.574183D+01  0.746925D+01 -0.538391D+01
      2   0.914517D+01  0.322744D+01 -0.158381D+02 -0.215071D+00 -0.507828D+00
      3   0.294864D+01 -0.309008D+01  0.100963D+02 -0.725418D+01  0.589174D+01
      4  -0.117539D+01 -0.102700D+02  0.857811D+01 -0.847585D+01  0.145596D+02
      5   0.185167D+02  0.994181D+01 -0.325789D+02  0.769330D+00  0.327954D+01
      6  -0.141754D+01  0.391828D+01  0.126192D+01  0.153541D+01 -0.155409D+01
               201           202           203           204           205 
      1   0.140137D+01 -0.122406D+02 -0.389389D+01  0.371443D+00  0.177456D+01
      2  -0.109155D+01 -0.182911D+01  0.265449D+02  0.217021D+01 -0.141765D+01
      3  -0.309814D+00  0.140698D+02 -0.226510D+02 -0.254165D+01 -0.356910D+00
      4   0.280286D+01  0.253452D+02 -0.487946D+02 -0.775129D+01  0.354463D+01
      5   0.432522D+01  0.494755D+01 -0.690454D+01 -0.735869D+01  0.677832D+01
      6  -0.124909D+01 -0.289782D+01  0.898654D+01  0.823911D+01 -0.241516D+01
               206           207           208           209           210 
      1  -0.336521D+00  0.102044D+01  0.613029D+02  0.836618D+01  0.207697D+02
      2   0.247473D+01  0.352443D+00 -0.334559D+02 -0.505733D+01 -0.123790D+02
      3  -0.213821D+01 -0.137289D+01 -0.278470D+02 -0.330885D+01 -0.839063D+01
      4  -0.681223D+01 -0.446613D+01  0.391915D+01  0.103873D+02  0.159648D+01
      5  -0.472220D+01 -0.445388D+01  0.242033D+02  0.318831D+01  0.185748D+02
      6   0.720342D+01  0.291303D+01 -0.236584D+01  0.712522D+00 -0.183010D+01
               211           212           213           214           215 
      1   0.185116D+02  0.692681D+01  0.481725D+01  0.370385D+02  0.336557D+01
      2  -0.107164D+02 -0.145502D+01 -0.260176D+01 -0.213558D+02 -0.199207D+01
      3  -0.779517D+01 -0.547179D+01 -0.221549D+01 -0.156828D+02 -0.137350D+01
      4   0.122064D+02  0.237982D+01  0.360260D+01  0.148147D+01  0.706959D+01
      5   0.732118D+01  0.362508D+01  0.775921D+01  0.251480D+02  0.462220D+01
      6   0.108058D+01  0.194510D+01  0.197642D+01 -0.166792D+01  0.219254D+01
               216           217           218           219           220 
      1   0.154353D+02 -0.683718D+01 -0.504004D+01  0.145725D+02 -0.962518D+00
      2  -0.134934D+02 -0.579834D+01  0.159828D+01  0.443123D+01 -0.844490D+00
      3  -0.194193D+01  0.126355D+02  0.344176D+01 -0.190037D+02  0.180701D+01
      4   0.341959D+01  0.124933D+02  0.311241D+01 -0.662330D+01  0.312454D+01
      5   0.192668D+02 -0.207471D+02 -0.197375D+00  0.129677D+02  0.487335D+00
      6  -0.136523D+01 -0.482852D+01 -0.856911D+01  0.106275D+02 -0.405263D+01
               221           222           223           224           225 
      1  -0.275357D+01  0.583494D+00  0.899078D+01  0.144431D+01 -0.105068D+02
      2   0.432726D+01 -0.255667D+01  0.258793D+01 -0.112242D+01 -0.915540D+01
      3  -0.157370D+01  0.197318D+01 -0.115787D+02 -0.321891D+00  0.196622D+02
      4  -0.470685D+00 -0.117219D+01 -0.614019D+01 -0.196938D+01  0.462765D+01
      5  -0.263709D+01  0.306583D+01  0.140263D+02  0.183567D+01 -0.746740D+01
      6  -0.268350D+01  0.274424D+01  0.512328D+01  0.424654D+01 -0.629679D+01
               226           227           228           229           230 
      1   0.102471D+02  0.234930D+01  0.171760D+01  0.381621D+01 -0.668422D+00
      2  -0.210864D+02 -0.466920D+01 -0.218681D+02 -0.822121D+01 -0.305771D-01
      3   0.108393D+02  0.231990D+01  0.201505D+02  0.440500D+01  0.699000D+00
      4  -0.465958D+01  0.516437D+01 -0.538461D+01  0.285280D+01  0.265687D+00
      5   0.284749D+02  0.170416D+01  0.309261D+02  0.934431D+01  0.572752D+01
      6  -0.238821D+01  0.689785D+01 -0.393414D+01  0.441226D+01  0.194197D+01
               231           232           233           234           235 
      1  -0.180612D+01  0.263294D+01  0.432361D-01 -0.796973D+01 -0.208441D+00
      2  -0.100180D+02 -0.180290D+02 -0.364137D+01 -0.292098D+02  0.216107D+01
      3   0.118241D+02  0.153960D+02  0.359813D+01  0.371796D+02 -0.195263D+01
      4   0.217902D+01 -0.490608D+01  0.254777D+01 -0.312806D+01 -0.565927D+01
      5   0.106581D+02  0.260976D+02  0.274487D+01  0.320509D+02  0.290480D+01
      6   0.445954D+01 -0.229050D+01  0.630236D+01 -0.492489D+01 -0.373899D+01
               236           237           238           239           240 
      1  -0.642416D+00 -0.937300D-03 -0.492043D+00 -0.222935D+02  0.596735D+01
      2  -0.590410D+01 -0.196224D+01 -0.674600D+01  0.493398D+02 -0.135901D+01
      3   0.654652D+01  0.196318D+01  0.723805D+01 -0.270463D+02 -0.460834D+01
      4   0.112381D+02 -0.178806D+01  0.130150D+02 -0.251736D+02  0.329083D+01
      5  -0.370084D+01  0.582292D+01 -0.535947D+01  0.691495D+01 -0.368664D+01
      6   0.571215D+01 -0.143552D+01  0.648417D+01 -0.324517D+02  0.122974D+02
               241           242           243 
      1  -0.454157D+00  0.448789D+00 -0.144882D+01
      2  -0.227519D+01  0.462043D+01  0.180165D+01
      3   0.272934D+01 -0.506922D+01 -0.352832D+00
      4   0.118081D+01 -0.253992D+01 -0.141719D+01
      5   0.335154D+01 -0.374842D+00  0.109140D+01
      6  -0.317275D+00  0.449327D+01  0.275593D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 20:23:24 2022, MaxMem=  6442450944 cpu:           22180.3 elap:            2782.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14441 -10.27096 -10.19975 -10.19565 -10.19025
 Alpha  occ. eigenvalues --  -10.18726 -10.18652 -10.18212 -10.17567 -10.17518
 Alpha  occ. eigenvalues --  -10.17368  -1.05637  -0.89341  -0.77468  -0.76960
 Alpha  occ. eigenvalues --   -0.74304  -0.68743  -0.67235  -0.64435  -0.58922
 Alpha  occ. eigenvalues --   -0.54388  -0.50582  -0.49044  -0.48708  -0.47394
 Alpha  occ. eigenvalues --   -0.45016  -0.42837  -0.41873  -0.41017  -0.40385
 Alpha  occ. eigenvalues --   -0.39942  -0.39010  -0.38522  -0.37707  -0.36648
 Alpha  occ. eigenvalues --   -0.34959  -0.34675  -0.33718  -0.32529  -0.31690
 Alpha  occ. eigenvalues --   -0.30095  -0.24477
 Alpha virt. eigenvalues --   -0.02606  -0.00995   0.00186   0.00408   0.00680
 Alpha virt. eigenvalues --    0.02530   0.02683   0.02745   0.02773   0.03274
 Alpha virt. eigenvalues --    0.05102   0.05276   0.05577   0.05773   0.05910
 Alpha virt. eigenvalues --    0.06330   0.06517   0.07230   0.08364   0.08807
 Alpha virt. eigenvalues --    0.09107   0.09171   0.09575   0.10126   0.10397
 Alpha virt. eigenvalues --    0.10737   0.10810   0.11011   0.11208   0.11516
 Alpha virt. eigenvalues --    0.11650   0.11964   0.12178   0.12450   0.12850
 Alpha virt. eigenvalues --    0.13022   0.13502   0.14075   0.14499   0.14904
 Alpha virt. eigenvalues --    0.15229   0.15839   0.16078   0.16603   0.16836
 Alpha virt. eigenvalues --    0.17391   0.17625   0.18315   0.18382   0.18864
 Alpha virt. eigenvalues --    0.19350   0.19782   0.19953   0.20554   0.20987
 Alpha virt. eigenvalues --    0.21800   0.21965   0.22512   0.22808   0.23215
 Alpha virt. eigenvalues --    0.23774   0.24208   0.24772   0.25140   0.25635
 Alpha virt. eigenvalues --    0.25980   0.26769   0.27191   0.27501   0.28977
 Alpha virt. eigenvalues --    0.29078   0.29470   0.29700   0.29930   0.30314
 Alpha virt. eigenvalues --    0.30649   0.31756   0.31941   0.32323   0.33253
 Alpha virt. eigenvalues --    0.33665   0.33946   0.34589   0.34889   0.35703
 Alpha virt. eigenvalues --    0.36359   0.37192   0.37503   0.38106   0.38287
 Alpha virt. eigenvalues --    0.38743   0.39192   0.39852   0.40125   0.40286
 Alpha virt. eigenvalues --    0.40531   0.40846   0.41331   0.41574   0.42437
 Alpha virt. eigenvalues --    0.43090   0.43939   0.44050   0.44784   0.45632
 Alpha virt. eigenvalues --    0.46315   0.47119   0.47941   0.48597   0.48865
 Alpha virt. eigenvalues --    0.49420   0.50176   0.51276   0.52045   0.52199
 Alpha virt. eigenvalues --    0.52874   0.53427   0.54141   0.54215   0.55318
 Alpha virt. eigenvalues --    0.55782   0.56446   0.56780   0.57041   0.57884
 Alpha virt. eigenvalues --    0.58203   0.58495   0.58760   0.59535   0.59650
 Alpha virt. eigenvalues --    0.60140   0.61135   0.61583   0.62306   0.62563
 Alpha virt. eigenvalues --    0.63112   0.63594   0.64604   0.65250   0.65619
 Alpha virt. eigenvalues --    0.66082   0.67063   0.67180   0.67778   0.68224
 Alpha virt. eigenvalues --    0.68414   0.69567   0.70086   0.70769   0.71605
 Alpha virt. eigenvalues --    0.71910   0.72255   0.72790   0.73506   0.73824
 Alpha virt. eigenvalues --    0.74739   0.75418   0.75782   0.76592   0.76949
 Alpha virt. eigenvalues --    0.77931   0.78179   0.79281   0.79682   0.80722
 Alpha virt. eigenvalues --    0.80928   0.81568   0.81977   0.82736   0.83421
 Alpha virt. eigenvalues --    0.84526   0.85318   0.85766   0.86102   0.86895
 Alpha virt. eigenvalues --    0.89019   0.89455   0.90368   0.91439   0.91647
 Alpha virt. eigenvalues --    0.92175   0.93527   0.94174   0.95243   0.96220
 Alpha virt. eigenvalues --    0.97048   0.99996   1.01144   1.01854   1.02268
 Alpha virt. eigenvalues --    1.03957   1.04504   1.05078   1.07305   1.08084
 Alpha virt. eigenvalues --    1.09422   1.11542   1.12139   1.13010   1.14708
 Alpha virt. eigenvalues --    1.15191   1.17249   1.17462   1.17759   1.19272
 Alpha virt. eigenvalues --    1.21357   1.22008   1.22496   1.23451   1.24584
 Alpha virt. eigenvalues --    1.25264   1.28009   1.29324   1.30954   1.32324
 Alpha virt. eigenvalues --    1.32978   1.34468   1.36806   1.39344   1.41162
 Alpha virt. eigenvalues --    1.41658   1.43608   1.44755   1.47076   1.47567
 Alpha virt. eigenvalues --    1.49256   1.50338   1.51047   1.51602   1.53041
 Alpha virt. eigenvalues --    1.54738   1.56385   1.57076   1.58323   1.58886
 Alpha virt. eigenvalues --    1.59021   1.60305   1.61329   1.62458   1.64378
 Alpha virt. eigenvalues --    1.65576   1.66315   1.68504   1.69127   1.71056
 Alpha virt. eigenvalues --    1.72149   1.73023   1.74387   1.74937   1.75922
 Alpha virt. eigenvalues --    1.77068   1.78546   1.79533   1.80604   1.82134
 Alpha virt. eigenvalues --    1.82347   1.83511   1.84003   1.86206   1.86438
 Alpha virt. eigenvalues --    1.87096   1.87488   1.88662   1.90078   1.90585
 Alpha virt. eigenvalues --    1.91791   1.92536   1.95104   1.95472   1.96228
 Alpha virt. eigenvalues --    1.97345   1.98522   2.00284   2.01871   2.02297
 Alpha virt. eigenvalues --    2.04176   2.05006   2.05763   2.06834   2.08120
 Alpha virt. eigenvalues --    2.09601   2.10293   2.10946   2.11973   2.13535
 Alpha virt. eigenvalues --    2.14287   2.15454   2.17292   2.20436   2.20812
 Alpha virt. eigenvalues --    2.21352   2.22730   2.23899   2.24361   2.26820
 Alpha virt. eigenvalues --    2.27923   2.29498   2.30858   2.32056   2.33921
 Alpha virt. eigenvalues --    2.35107   2.36814   2.37500   2.38943   2.39004
 Alpha virt. eigenvalues --    2.40102   2.42601   2.43830   2.45269   2.46487
 Alpha virt. eigenvalues --    2.47912   2.48556   2.50408   2.51004   2.53342
 Alpha virt. eigenvalues --    2.53697   2.56120   2.56783   2.58422   2.59216
 Alpha virt. eigenvalues --    2.60491   2.62427   2.62890   2.65434   2.66223
 Alpha virt. eigenvalues --    2.68462   2.70117   2.70843   2.74917   2.75981
 Alpha virt. eigenvalues --    2.78172   2.79389   2.84478   2.84833   2.85932
 Alpha virt. eigenvalues --    2.90037   2.91615   2.98391   3.00296   3.05038
 Alpha virt. eigenvalues --    3.09556   3.14448   3.21155   3.28950   3.35613
 Alpha virt. eigenvalues --    3.40230   3.47790   3.49199   3.50837   3.57078
 Alpha virt. eigenvalues --    3.69704   3.86889   4.14695   4.47453   5.24091
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   19.471794  -3.986244   0.017819   0.231054  -2.606592   0.208305
     2  C   -3.986244  16.994889  -2.135451   1.828290  -2.924079  -3.546368
     3  C    0.017819  -2.135451   9.858043  -2.904863   1.278609   0.653291
     4  C    0.231054   1.828290  -2.904863   9.204429  -2.657942  -0.690538
     5  C   -2.606592  -2.924079   1.278609  -2.657942  16.878747   0.499995
     6  C    0.208305  -3.546368   0.653291  -0.690538   0.499995  10.700248
     7  C   -0.276477   1.921232  -0.508655   0.344972  -2.199878  -1.412171
     8  C   -0.332188  -0.996564  -0.765899   0.285858   0.484790  -0.879403
     9  O    0.080263   0.087492  -0.061610   0.095223  -0.118614  -0.435403
    10  C   -2.259051  -0.334527  -0.215760   0.008592  -0.276846   0.168376
    11  C   -2.039512   0.124892   0.005844  -0.165639  -0.416561  -0.002452
    12  H    0.123701   0.442158  -0.877288   0.344145  -0.297596   0.127108
    13  H   -0.033593  -0.139117  -1.013523   0.324604  -0.029882  -0.025286
    14  H    0.223756  -0.352478   0.669206  -1.025788  -0.416290   0.246451
    15  H   -0.174931  -0.259834   0.480409  -0.865952   0.709165  -0.098842
    16  H   -0.376520   0.164148   0.006483  -0.106063   0.734669   0.007465
    17  H    0.454955  -0.430658   0.041710   0.166535  -0.672748   0.343433
    18  H   -0.204585   0.296585   0.064180   0.405074  -3.278321   0.005901
    19  H    0.004796  -0.001415   0.211408   0.038006  -0.085713   0.290288
    20  H   -0.193091   0.282462  -0.096379  -0.075930   0.105234  -0.007083
    21  H    0.080267  -0.142426  -0.014404   0.028903   0.107226  -0.321613
    22  H    0.640090  -0.331349   0.015202  -0.203762  -0.143214   0.074039
    23  H   -0.222635  -0.269969   0.221520  -0.113246   0.114040   0.070596
    24  H   -0.181387   0.415196  -0.144025   0.203208  -0.138639  -0.091729
    25  H    1.015755  -0.490599   0.012276   0.065337  -0.144924  -0.143662
    26  H   -0.144933   0.221911  -0.128761   0.096314  -0.335116  -0.073698
    27  H   -0.261873   0.021517   0.140278  -0.114927   0.161934   0.257539
               7          8          9         10         11         12
     1  C   -0.276477  -0.332188   0.080263  -2.259051  -2.039512   0.123701
     2  C    1.921232  -0.996564   0.087492  -0.334527   0.124892   0.442158
     3  C   -0.508655  -0.765899  -0.061610  -0.215760   0.005844  -0.877288
     4  C    0.344972   0.285858   0.095223   0.008592  -0.165639   0.344145
     5  C   -2.199878   0.484790  -0.118614  -0.276846  -0.416561  -0.297596
     6  C   -1.412171  -0.879403  -0.435403   0.168376  -0.002452   0.127108
     7  C    8.115711   0.012957  -0.042586  -0.229379  -0.139662   0.045491
     8  C    0.012957   7.158369   0.071957  -0.111984  -0.111725  -0.225135
     9  O   -0.042586   0.071957   8.900195   0.027309  -0.031034  -0.007343
    10  C   -0.229379  -0.111984   0.027309   7.271839  -0.444652  -0.007990
    11  C   -0.139662  -0.111725  -0.031034  -0.444652   7.106294   0.042318
    12  H    0.045491  -0.225135  -0.007343  -0.007990   0.042318   3.545984
    13  H   -0.108119   0.112635   0.038680   0.100214  -0.001889  -1.212452
    14  H    0.073460  -0.067951  -0.009699   0.104833  -0.032117   0.292876
    15  H   -0.006794   0.045952   0.005641  -0.138810   0.067466  -0.655329
    16  H   -0.539106   0.069476   0.030102   0.051031  -0.111548  -0.005801
    17  H   -0.531744  -0.047644   0.050708  -0.011353   0.087594   0.008752
    18  H    0.403055  -0.068408  -0.002557   0.118295   0.141967   0.022521
    19  H    0.021301  -0.225021  -0.033959  -0.001793   0.029957   0.019456
    20  H   -0.014421  -0.053556   0.025576   0.014414  -0.002418  -0.004485
    21  H   -0.024327   0.133945   0.021218   0.043833  -0.022808  -0.119798
    22  H    0.019677   0.082662  -0.008214  -0.253538   0.141883  -0.015473
    23  H   -0.085221  -0.178868   0.005214   0.266174   0.070537  -0.028381
    24  H    0.098914   0.000881   0.003515  -0.050703  -0.224714   0.012722
    25  H   -0.146658   0.063461   0.076445   0.098901  -0.256522   0.002799
    26  H    0.277314   0.021509   0.000904  -0.002223  -0.139859  -0.014939
    27  H   -0.167355  -0.211220  -0.028638  -0.000893   0.205822   0.017336
              13         14         15         16         17         18
     1  C   -0.033593   0.223756  -0.174931  -0.376520   0.454955  -0.204585
     2  C   -0.139117  -0.352478  -0.259834   0.164148  -0.430658   0.296585
     3  C   -1.013523   0.669206   0.480409   0.006483   0.041710   0.064180
     4  C    0.324604  -1.025788  -0.865952  -0.106063   0.166535   0.405074
     5  C   -0.029882  -0.416290   0.709165   0.734669  -0.672748  -3.278321
     6  C   -0.025286   0.246451  -0.098842   0.007465   0.343433   0.005901
     7  C   -0.108119   0.073460  -0.006794  -0.539106  -0.531744   0.403055
     8  C    0.112635  -0.067951   0.045952   0.069476  -0.047644  -0.068408
     9  O    0.038680  -0.009699   0.005641   0.030102   0.050708  -0.002557
    10  C    0.100214   0.104833  -0.138810   0.051031  -0.011353   0.118295
    11  C   -0.001889  -0.032117   0.067466  -0.111548   0.087594   0.141967
    12  H   -1.212452   0.292876  -0.655329  -0.005801   0.008752   0.022521
    13  H    3.644207  -0.424204   0.315931   0.014547  -0.013116  -0.008094
    14  H   -0.424204   3.396332  -1.179899   0.053158  -0.091804   0.093527
    15  H    0.315931  -1.179899   3.431644  -0.029416   0.078228  -0.169755
    16  H    0.014547   0.053158  -0.029416   2.539141  -0.839894  -0.141546
    17  H   -0.013116  -0.091804   0.078228  -0.839894   2.787315   0.064008
    18  H   -0.008094   0.093527  -0.169755  -0.141546   0.064008   4.147221
    19  H   -0.043177   0.003866  -0.005414  -0.002118  -0.004098   0.002321
    20  H    0.006312  -0.000524  -0.005220   0.006462  -0.004088  -0.001610
    21  H    0.077177  -0.011610   0.021928  -0.001143   0.002700  -0.008085
    22  H    0.024874   0.026162  -0.040954   0.013661  -0.007652  -0.003361
    23  H    0.023914  -0.016077   0.033404  -0.015120   0.006919   0.027308
    24  H   -0.009392   0.027924  -0.022556   0.015512  -0.003617   0.032861
    25  H    0.002379  -0.004868   0.013163  -0.105390   0.041530   0.008688
    26  H    0.005900  -0.006792   0.018989  -0.021409   0.031502   0.026281
    27  H   -0.001739   0.006126  -0.017601   0.037139  -0.018015   0.020688
              19         20         21         22         23         24
     1  C    0.004796  -0.193091   0.080267   0.640090  -0.222635  -0.181387
     2  C   -0.001415   0.282462  -0.142426  -0.331349  -0.269969   0.415196
     3  C    0.211408  -0.096379  -0.014404   0.015202   0.221520  -0.144025
     4  C    0.038006  -0.075930   0.028903  -0.203762  -0.113246   0.203208
     5  C   -0.085713   0.105234   0.107226  -0.143214   0.114040  -0.138639
     6  C    0.290288  -0.007083  -0.321613   0.074039   0.070596  -0.091729
     7  C    0.021301  -0.014421  -0.024327   0.019677  -0.085221   0.098914
     8  C   -0.225021  -0.053556   0.133945   0.082662  -0.178868   0.000881
     9  O   -0.033959   0.025576   0.021218  -0.008214   0.005214   0.003515
    10  C   -0.001793   0.014414   0.043833  -0.253538   0.266174  -0.050703
    11  C    0.029957  -0.002418  -0.022808   0.141883   0.070537  -0.224714
    12  H    0.019456  -0.004485  -0.119798  -0.015473  -0.028381   0.012722
    13  H   -0.043177   0.006312   0.077177   0.024874   0.023914  -0.009392
    14  H    0.003866  -0.000524  -0.011610   0.026162  -0.016077   0.027924
    15  H   -0.005414  -0.005220   0.021928  -0.040954   0.033404  -0.022556
    16  H   -0.002118   0.006462  -0.001143   0.013661  -0.015120   0.015512
    17  H   -0.004098  -0.004088   0.002700  -0.007652   0.006919  -0.003617
    18  H    0.002321  -0.001610  -0.008085  -0.003361   0.027308   0.032861
    19  H    1.974703  -0.471198  -0.554431   0.007945   0.010122  -0.010053
    20  H   -0.471198   2.119136  -0.498396   0.033634  -0.021487  -0.003420
    21  H   -0.554431  -0.498396   2.417511  -0.058971   0.034849   0.032100
    22  H    0.007945   0.033634  -0.058971   2.637465  -0.676402  -0.592122
    23  H    0.010122  -0.021487   0.034849  -0.676402   2.606625  -0.573932
    24  H   -0.010053  -0.003420   0.032100  -0.592122  -0.573932   2.471022
    25  H    0.015436  -0.083941   0.031872  -0.063281   0.073487   0.003207
    26  H   -0.009834   0.034166   0.006326   0.040981   0.012939  -0.025171
    27  H    0.006780   0.037779  -0.036849   0.054703  -0.099628   0.029767
              25         26         27
     1  C    1.015755  -0.144933  -0.261873
     2  C   -0.490599   0.221911   0.021517
     3  C    0.012276  -0.128761   0.140278
     4  C    0.065337   0.096314  -0.114927
     5  C   -0.144924  -0.335116   0.161934
     6  C   -0.143662  -0.073698   0.257539
     7  C   -0.146658   0.277314  -0.167355
     8  C    0.063461   0.021509  -0.211220
     9  O    0.076445   0.000904  -0.028638
    10  C    0.098901  -0.002223  -0.000893
    11  C   -0.256522  -0.139859   0.205822
    12  H    0.002799  -0.014939   0.017336
    13  H    0.002379   0.005900  -0.001739
    14  H   -0.004868  -0.006792   0.006126
    15  H    0.013163   0.018989  -0.017601
    16  H   -0.105390  -0.021409   0.037139
    17  H    0.041530   0.031502  -0.018015
    18  H    0.008688   0.026281   0.020688
    19  H    0.015436  -0.009834   0.006780
    20  H   -0.083941   0.034166   0.037779
    21  H    0.031872   0.006326  -0.036849
    22  H   -0.063281   0.040981   0.054703
    23  H    0.073487   0.012939  -0.099628
    24  H    0.003207  -0.025171   0.029767
    25  H    2.549992  -0.634505  -0.644764
    26  H   -0.634505   2.645271  -0.588712
    27  H   -0.644764  -0.588712   2.496740
 Mulliken charges:
               1
     1  C   -3.258943
     2  C   -0.459694
     3  C    1.190340
     4  C    1.254106
     5  C    1.668547
     6  C    0.075214
     7  C    1.098468
     8  C    1.731114
     9  O   -0.740786
    10  C    2.065692
    11  C    2.118539
    12  H   -0.575359
    13  H   -0.627791
    14  H   -0.577576
    15  H   -0.550613
    16  H   -0.447920
    17  H   -0.489459
    18  H   -0.994158
    19  H   -0.188162
    20  H   -0.127925
    21  H   -0.224996
    22  H   -0.414684
    23  H   -0.276680
    24  H   -0.275370
    25  H   -0.355615
    26  H   -0.314355
    27  H   -0.301933
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.258943
     2  C   -0.459694
     3  C   -0.012810
     4  C    0.125916
     5  C    0.674390
     6  C    0.075214
     7  C    0.161090
     8  C    1.190031
     9  O   -0.740786
    10  C    1.098957
    11  C    1.146636
 Electronic spatial extent (au):  <R**2>=           1477.2352
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.6189    Y=              1.1155    Z=             -0.1758  Tot=              3.7910
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.3587   YY=            -67.7707   ZZ=            -67.1983
   XY=             -2.6494   XZ=              1.2152   YZ=              0.4368
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.5828   YY=              4.0052   ZZ=              4.5776
   XY=             -2.6494   XZ=              1.2152   YZ=              0.4368
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             29.3190  YYY=              1.0741  ZZZ=              2.3845  XYY=             -3.5044
  XXY=              7.5174  XXZ=             -4.2186  XZZ=             -2.4112  YZZ=              1.1418
  YYZ=              0.9952  XYZ=              0.3327
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -916.0677 YYYY=           -658.3302 ZZZZ=           -563.4506 XXXY=             -7.9969
 XXXZ=             16.6630 YYYX=             -7.1360 YYYZ=             -1.3491 ZZZX=             -5.4149
 ZZZY=              4.7417 XXYY=           -243.3118 XXZZ=           -222.2475 YYZZ=           -208.2694
 XXYZ=              1.4394 YYXZ=             -1.4758 ZZXY=              2.2095
 N-N= 6.881402270722D+02 E-N=-2.457984769678D+03  KE= 4.632180371308D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 20:23:24 2022, MaxMem=  6442450944 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.38600940D+00 4.31426383D-01-6.46109490D-02
 Polarizability= 1.34675090D+02 1.38154848D+00 1.29856639D+02
                -3.25054063D-01 1.68207865D+00 1.26079469D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3525    0.3493        0.8908    0.8886
 2     -0.3525   -0.3493       -1.1074   -1.1061       -3.2011   -3.1951
 3     -0.8908   -0.8886        5.1604    5.1543        1.1099    1.1061
 4      1.1074    1.1061        0.0000    0.0000       -0.8893   -0.8886
 5     -1.9593   -1.9592        0.8893    0.8886        0.3480    0.3493
 6     -1.1099   -1.1061       -0.3480   -0.3493        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0479   -1.0479        2.6659    2.6659
 2      3.3182    3.3182        0.0000    0.0000        2.6659    2.6659
 3      3.3182    3.3182       -1.0479   -1.0479       -0.0000    0.0000
 4     -1.0479   -1.0479       -3.3182   -3.3182       -9.5853   -9.5853
 5     -2.6659   -2.6659       15.4630   15.4630        3.3182    3.3182
 6     -5.8777   -5.8777        2.6659    2.6659        1.0479    1.0479
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0435    0.0000       -1.4271   -1.3972       -3.7291   -3.5545
 2      1.4040    1.3972        4.0562    4.4242       12.5837   12.7805
 3      4.0598    3.5545      -21.3506  -20.6174       -4.2047   -4.4242
 4     -4.6164   -4.4242       -0.0530    0.0000        3.4373    3.5545
 5      7.8125    7.8369       -3.6449   -3.5545       -1.4200   -1.3972
 6      4.2401    4.4242        1.1602    1.3972       -0.1501    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1174    0.0000        8.2632    8.2990        2.8185    2.8218
 2     -8.2479   -8.2990        4.8816    4.8336       10.0884   10.2242
 3     -3.1301   -2.8218       14.1408   13.8752       -4.7929   -4.8336
 4     -4.9842   -4.8336        0.2674    0.0000       -2.8415   -2.8218
 5    -23.9517  -24.0993        2.8404    2.8218        7.9548    8.2990
 6      4.8373    4.8336       -8.3495   -8.2990        0.0423    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.9345   -8.1385       15.2778   15.4387       24.7354   24.2731
 2    -10.9506  -11.1433       25.6407   25.4689       24.7605   24.2731
 3    -11.0768  -11.1433       15.3450   15.4387       21.4631   20.9219
 4    -10.7747  -10.0302        3.7215    3.0048       16.6151   16.7584
 5     -3.0283   -3.3512       18.1470   18.4819       -3.1529   -3.0048
 6    -34.9715  -35.2403        3.4688    3.3512        9.4489   10.0302
 Full mass-weighted force constant matrix:
 Low frequencies ---  -19.0180   -8.2592   -6.3886   -0.0005   -0.0005    0.0003
 Low frequencies ---  101.7772  168.2446  182.8223
 Diagonal vibrational polarizability:
        6.5103583       9.6508863      11.7687349
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    101.7399               168.2361               182.8206
 Red. masses --      4.6583                 1.1724                 1.1076
 Frc consts  --      0.0284                 0.0196                 0.0218
 IR Inten    --      5.5880                 0.1269                 0.1129
 RamAct Fr= 1--      1.1129                 0.2025                 0.0763
  Dep-P Fr= 1--      0.7481                 0.7106                 0.7439
  Dep-U Fr= 1--      0.8559                 0.8308                 0.8531
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1588                 0.0280                 0.0108
 AlphaG Fr= 1--      0.0006                -0.0010                -0.0008
 Gamma2 Fr= 1--      0.2634                -0.0570                 0.1365
 Delta2 Fr= 1--     -0.0870                 0.0331                 0.0048
 Raman1 Fr= 1--       4.452                  0.810                  0.305
 ROA1   Fr= 1--      22.501                 -4.415                 13.252
 CID1   Fr= 1--       5.054                 -5.451                 43.445
 Raman2 Fr= 1--       1.905                  0.336                  0.130
 ROA2   Fr= 1--       7.017                 -1.633                  3.237
 CID2   Fr= 1--       3.683                 -4.854                 24.878
 Raman3 Fr= 1--       3.810                  0.673                  0.260
 ROA3   Fr= 1--      22.501                 -4.415                 13.252
 CID3   Fr= 1--       5.905                 -6.561                 50.924
 RC180  Fr= 1--       0.712                  0.662                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.00     0.00  -0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.01   0.05  -0.07    -0.01  -0.01   0.02     0.00  -0.00   0.00
     3   6     0.03   0.08  -0.03    -0.03   0.02   0.03    -0.03   0.02   0.01
     4   6     0.13   0.02  -0.02     0.04  -0.02   0.02     0.02   0.00   0.01
     5   6     0.01   0.03  -0.03    -0.01  -0.01   0.02     0.00  -0.00   0.00
     6   6     0.01  -0.03   0.01    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6    -0.03   0.09  -0.12    -0.02   0.00  -0.02    -0.00  -0.00  -0.01
     8   6     0.00   0.08  -0.13     0.02  -0.00  -0.01     0.03   0.00  -0.02
     9   8     0.09  -0.25   0.29    -0.02   0.02  -0.04    -0.01  -0.00  -0.02
    10   6    -0.04  -0.07   0.06    -0.01   0.01  -0.03    -0.01  -0.04  -0.00
    11   6    -0.15   0.04   0.01     0.05   0.00   0.02     0.00   0.04   0.03
    12   1    -0.02   0.06  -0.07    -0.10   0.02  -0.03    -0.07   0.03  -0.02
    13   1     0.03   0.16   0.01    -0.06   0.05   0.10    -0.04   0.05   0.06
    14   1     0.24   0.08  -0.06     0.10   0.02   0.00     0.06   0.03   0.01
    15   1     0.17  -0.11   0.02     0.06  -0.10   0.03     0.03  -0.05   0.01
    16   1    -0.12   0.25  -0.10    -0.05   0.03  -0.01    -0.01   0.02  -0.01
    17   1    -0.00   0.06  -0.30    -0.01   0.00  -0.05    -0.00  -0.01  -0.03
    18   1    -0.02  -0.00   0.02    -0.02  -0.01   0.04    -0.00  -0.01   0.01
    19   1     0.06   0.12  -0.22     0.09   0.01  -0.11    -0.28  -0.11   0.42
    20   1    -0.09   0.05  -0.18    -0.08  -0.00  -0.03     0.57  -0.11  -0.03
    21   1     0.05   0.08  -0.07     0.08  -0.02   0.08    -0.21   0.24  -0.47
    22   1    -0.02  -0.20  -0.00    -0.20  -0.32  -0.23    -0.04  -0.10  -0.04
    23   1    -0.04  -0.10   0.20     0.15  -0.03   0.35    -0.03  -0.05   0.05
    24   1    -0.04   0.01   0.04     0.01   0.39  -0.23     0.01  -0.01  -0.05
    25   1    -0.13   0.20   0.03     0.16   0.25   0.21     0.00   0.05   0.03
    26   1    -0.08  -0.07  -0.01     0.29  -0.19  -0.13    -0.00   0.08   0.02
    27   1    -0.32   0.00   0.01    -0.25  -0.05  -0.04     0.01   0.03   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.0462               224.4087               241.2515
 Red. masses --      1.9219                 1.1595                 2.5402
 Frc consts  --      0.0533                 0.0344                 0.0871
 IR Inten    --      0.2917                 0.4185                 1.0444
 RamAct Fr= 1--      0.3330                 0.1734                 0.7483
  Dep-P Fr= 1--      0.7497                 0.7216                 0.5910
  Dep-U Fr= 1--      0.8569                 0.8383                 0.7429
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0022
 Beta2  Fr= 1--      0.0476                 0.0242                 0.0927
 AlphaG Fr= 1--     -0.0001                 0.0018                 0.0021
 Gamma2 Fr= 1--      0.0949                -0.0315                 0.1429
 Delta2 Fr= 1--     -0.0437                 0.0469                 0.0580
 Raman1 Fr= 1--       1.332                  0.694                  2.993
 ROA1   Fr= 1--       7.717                 -1.528                 15.577
 CID1   Fr= 1--       5.793                 -2.203                  5.204
 Raman2 Fr= 1--       0.571                  0.291                  1.112
 ROA2   Fr= 1--       2.628                 -1.132                  2.966
 CID2   Fr= 1--       4.605                 -3.894                  2.667
 Raman3 Fr= 1--       1.141                  0.581                  2.224
 ROA3   Fr= 1--       7.717                 -1.528                 15.577
 CID3   Fr= 1--       6.760                 -2.628                  7.005
 RC180  Fr= 1--       0.714                  0.677                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.01    -0.01   0.01  -0.02
     2   6     0.01   0.00  -0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
     3   6     0.05  -0.05  -0.04    -0.05   0.01  -0.00    -0.10   0.02  -0.00
     4   6    -0.01  -0.02  -0.02     0.01  -0.02  -0.01    -0.03   0.01  -0.03
     5   6    -0.01  -0.00  -0.01     0.02  -0.02  -0.02     0.02   0.02  -0.02
     6   6     0.01   0.03   0.00     0.01  -0.00   0.01     0.00   0.02   0.03
     7   6     0.01   0.02  -0.00     0.03  -0.02   0.02     0.04   0.03   0.01
     8   6    -0.09  -0.01   0.05     0.01  -0.00  -0.04     0.25  -0.05   0.07
     9   8     0.02   0.01   0.04    -0.00   0.03   0.02    -0.02   0.08   0.04
    10   6     0.08   0.14   0.08     0.03   0.02   0.03    -0.02  -0.03   0.00
    11   6    -0.05  -0.12  -0.09    -0.04   0.01   0.00    -0.14  -0.09  -0.09
    12   1     0.12  -0.06   0.03    -0.10   0.02  -0.05    -0.17   0.05  -0.07
    13   1     0.09  -0.07  -0.12    -0.07   0.03   0.06    -0.15   0.04   0.10
    14   1    -0.06  -0.05  -0.03     0.04   0.01  -0.00    -0.00   0.03  -0.00
    15   1    -0.02   0.04  -0.01     0.01  -0.06  -0.03    -0.04  -0.03  -0.08
    16   1     0.00   0.02  -0.00     0.08  -0.06   0.02     0.05   0.04   0.01
    17   1     0.01   0.02  -0.00     0.02  -0.02   0.07     0.03   0.02   0.01
    18   1     0.01   0.00  -0.02     0.04  -0.03  -0.03     0.04   0.03  -0.05
    19   1    -0.26  -0.03   0.30     0.04   0.01  -0.09     0.31  -0.29  -0.00
    20   1     0.13  -0.01   0.09    -0.04  -0.01  -0.05     0.36  -0.04   0.10
    21   1    -0.25  -0.00  -0.17     0.04   0.00   0.01     0.37   0.08   0.15
    22   1     0.04   0.05   0.03    -0.08  -0.22  -0.12     0.02   0.01   0.03
    23   1     0.29   0.15   0.23     0.21  -0.00   0.33    -0.07  -0.03  -0.05
    24   1    -0.03   0.39   0.09    -0.01   0.36  -0.08    -0.01  -0.11   0.04
    25   1    -0.02  -0.02  -0.04    -0.18  -0.31  -0.25    -0.14  -0.00  -0.10
    26   1     0.04  -0.34  -0.08    -0.35   0.29   0.17    -0.10  -0.30  -0.03
    27   1    -0.24  -0.13  -0.25     0.36   0.07   0.11    -0.30  -0.10  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    261.9030               289.8471               300.1674
 Red. masses --      2.2827                 1.9371                 2.9078
 Frc consts  --      0.0923                 0.0959                 0.1544
 IR Inten    --      0.9022                 0.4485                 2.6929
 RamAct Fr= 1--      1.1241                 0.4644                 1.1602
  Dep-P Fr= 1--      0.6183                 0.4097                 0.5847
  Dep-U Fr= 1--      0.7642                 0.5812                 0.7379
 Alpha2 Fr= 1--      0.0027                 0.0033                 0.0036
 Beta2  Fr= 1--      0.1432                 0.0450                 0.1427
 AlphaG Fr= 1--      0.0054                 0.0143                -0.0065
 Gamma2 Fr= 1--     -0.0544                -0.0060                 0.2707
 Delta2 Fr= 1--     -0.0868                -0.0306                 0.1755
 Raman1 Fr= 1--       4.496                  1.858                  4.641
 ROA1   Fr= 1--      -7.999                 -1.556                 31.606
 CID1   Fr= 1--      -1.779                 -0.838                  6.811
 Raman2 Fr= 1--       1.718                  0.540                  1.712
 ROA2   Fr= 1--      -0.610                  0.100                  5.094
 CID2   Fr= 1--      -0.355                  0.186                  2.975
 Raman3 Fr= 1--       3.436                  1.080                  3.424
 ROA3   Fr= 1--      -7.999                 -1.556                 31.606
 CID3   Fr= 1--      -2.328                 -1.441                  9.230
 RC180  Fr= 1--       0.528                  0.162                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.02  -0.02    -0.06  -0.02   0.02
     2   6    -0.01   0.03  -0.00     0.02   0.04  -0.04    -0.06  -0.02  -0.00
     3   6     0.04   0.06   0.02     0.11   0.00  -0.05     0.18  -0.09  -0.02
     4   6     0.13   0.01   0.06    -0.10   0.08   0.02     0.03  -0.04   0.02
     5   6    -0.02   0.00   0.05     0.00   0.02   0.01    -0.04  -0.02   0.02
     6   6    -0.03   0.02  -0.04     0.03   0.02  -0.02    -0.08   0.04  -0.00
     7   6    -0.06   0.04  -0.06     0.02  -0.04   0.08    -0.04   0.02  -0.02
     8   6    -0.01  -0.03   0.19     0.01   0.01   0.07     0.11  -0.01  -0.10
     9   8     0.00  -0.07  -0.03     0.05  -0.04  -0.01    -0.11   0.10   0.15
    10   6    -0.06   0.03  -0.12    -0.06  -0.11  -0.06    -0.08   0.06  -0.08
    11   6     0.02  -0.06  -0.06    -0.08   0.04  -0.01     0.08  -0.03   0.02
    12   1    -0.02   0.06  -0.03     0.29   0.02   0.09     0.36  -0.19   0.19
    13   1     0.04   0.16   0.06     0.19  -0.09  -0.24     0.31  -0.13  -0.28
    14   1     0.25   0.07   0.01    -0.28  -0.03   0.07    -0.05  -0.09  -0.03
    15   1     0.18  -0.12   0.13    -0.14   0.28   0.03     0.04   0.06   0.10
    16   1    -0.15   0.08  -0.06     0.08  -0.16   0.07    -0.08   0.02  -0.03
    17   1    -0.02   0.05  -0.14     0.00  -0.02   0.21    -0.01   0.04  -0.04
    18   1    -0.06  -0.03   0.12     0.02   0.02  -0.01    -0.05  -0.04   0.04
    19   1    -0.04  -0.16   0.24    -0.01  -0.06   0.11     0.12  -0.10  -0.12
    20   1     0.03   0.11   0.33     0.04   0.08   0.14     0.24  -0.12  -0.17
    21   1    -0.03  -0.14   0.22    -0.00  -0.05   0.08     0.17   0.18  -0.13
    22   1    -0.14   0.02  -0.14    -0.17  -0.38  -0.22    -0.16   0.04  -0.09
    23   1    -0.07   0.03  -0.13    -0.06  -0.16   0.23    -0.01   0.06  -0.05
    24   1     0.00   0.04  -0.20     0.02   0.10  -0.24    -0.06   0.14  -0.14
    25   1    -0.06  -0.31  -0.20    -0.07   0.11  -0.02     0.08  -0.16   0.03
    26   1    -0.17   0.08   0.06    -0.06   0.01  -0.00     0.05   0.08  -0.00
    27   1     0.29  -0.01  -0.07    -0.14   0.03   0.02     0.23  -0.00   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    384.1976               394.8692               415.0588
 Red. masses --      2.4672                 2.4319                 2.1364
 Frc consts  --      0.2146                 0.2234                 0.2168
 IR Inten    --      0.9841                 0.2125                 1.6720
 RamAct Fr= 1--      0.5901                 2.0869                 0.5836
  Dep-P Fr= 1--      0.4133                 0.1873                 0.6724
  Dep-U Fr= 1--      0.5849                 0.3155                 0.8041
 Alpha2 Fr= 1--      0.0042                 0.0293                 0.0008
 Beta2  Fr= 1--      0.0575                 0.1097                 0.0782
 AlphaG Fr= 1--     -0.0168                -0.0174                -0.0062
 Gamma2 Fr= 1--     -0.2041                -0.2835                 0.2821
 Delta2 Fr= 1--     -0.0540                -0.2508                 0.1581
 Raman1 Fr= 1--       2.360                  8.348                  2.334
 ROA1   Fr= 1--     -21.324                -35.241                 32.142
 CID1   Fr= 1--      -9.034                 -4.222                 13.769
 Raman2 Fr= 1--       0.690                  1.317                  0.939
 ROA2   Fr= 1--      -4.466                 -4.797                  5.505
 CID2   Fr= 1--      -6.471                 -3.643                  5.866
 Raman3 Fr= 1--       1.380                  2.633                  1.877
 ROA3   Fr= 1--     -21.324                -35.241                 32.142
 CID3   Fr= 1--     -15.447                -13.382                 17.123
 RC180  Fr= 1--       0.170                 -0.369                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.09     0.00   0.02  -0.01    -0.04   0.07   0.03
     2   6     0.06  -0.00   0.13    -0.02   0.05  -0.03    -0.02   0.06   0.03
     3   6    -0.01  -0.10   0.08    -0.02   0.05  -0.03     0.02  -0.05  -0.04
     4   6    -0.08  -0.01  -0.04    -0.05   0.06  -0.02     0.11  -0.07  -0.11
     5   6    -0.00   0.08   0.01    -0.04   0.04  -0.02    -0.04   0.08  -0.04
     6   6     0.05   0.02   0.05    -0.05   0.03  -0.03    -0.03   0.01   0.04
     7   6    -0.03   0.13  -0.04    -0.06   0.03  -0.05     0.00  -0.05   0.14
     8   6     0.00   0.09  -0.05     0.01   0.03   0.03     0.02   0.08   0.01
     9   8     0.07  -0.04  -0.07    -0.04   0.00   0.03    -0.01  -0.06  -0.04
    10   6    -0.04  -0.04  -0.05     0.05  -0.16   0.15    -0.06   0.01   0.03
    11   6    -0.00  -0.13   0.01     0.18  -0.09  -0.06     0.01  -0.01  -0.02
    12   1    -0.00  -0.13   0.10     0.01   0.07  -0.01    -0.04  -0.16  -0.04
    13   1    -0.04  -0.21   0.06    -0.01   0.04  -0.06     0.02  -0.00  -0.03
    14   1    -0.16  -0.07  -0.06    -0.06   0.05  -0.01     0.29   0.02  -0.30
    15   1    -0.11   0.06  -0.10    -0.05   0.07  -0.02     0.20  -0.30   0.00
    16   1    -0.09   0.27  -0.02    -0.06  -0.01  -0.05     0.28  -0.30   0.13
    17   1    -0.02   0.09  -0.22    -0.05   0.03  -0.03    -0.12  -0.04   0.48
    18   1    -0.02   0.17  -0.04    -0.08   0.07  -0.02    -0.04   0.13  -0.08
    19   1     0.00   0.29  -0.06     0.01  -0.05   0.03     0.03   0.09  -0.00
    20   1    -0.06  -0.07  -0.20     0.04   0.08   0.08     0.04   0.04  -0.03
    21   1    -0.03   0.17  -0.12     0.02   0.01   0.06     0.03   0.15  -0.01
    22   1    -0.19  -0.13  -0.12     0.25  -0.34   0.08    -0.02  -0.01   0.02
    23   1    -0.13  -0.06   0.00    -0.04  -0.20   0.37    -0.14   0.00   0.03
    24   1     0.09  -0.02  -0.22    -0.02  -0.14   0.22    -0.04  -0.04   0.03
    25   1    -0.08  -0.30  -0.12     0.21  -0.31   0.05     0.04  -0.09   0.04
    26   1    -0.14  -0.19   0.17     0.20  -0.02  -0.11     0.05  -0.09  -0.03
    27   1     0.12  -0.08  -0.15     0.37  -0.02  -0.18     0.01   0.01  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    475.8054               524.0110               560.9464
 Red. masses --      3.2697                 2.9269                 4.2261
 Frc consts  --      0.4361                 0.4735                 0.7835
 IR Inten    --      0.8894                 6.2328                 3.1570
 RamAct Fr= 1--      2.6593                 0.8714                 7.1931
  Dep-P Fr= 1--      0.5775                 0.4390                 0.1901
  Dep-U Fr= 1--      0.7322                 0.6101                 0.3195
 Alpha2 Fr= 1--      0.0086                 0.0056                 0.1003
 Beta2  Fr= 1--      0.3245                 0.0886                 0.3830
 AlphaG Fr= 1--     -0.0118                 0.0054                -0.1265
 Gamma2 Fr= 1--     -1.1664                 0.6651                -0.4501
 Delta2 Fr= 1--     -0.0399                 0.0870                 0.3217
 Raman1 Fr= 1--      10.637                  3.486                 28.772
 ROA1   Fr= 1--    -113.249                 66.638                -32.917
 CID1   Fr= 1--     -10.646                 19.118                 -1.144
 Raman2 Fr= 1--       3.894                  1.063                  4.596
 ROA2   Fr= 1--     -27.675                 15.268                -13.377
 CID2   Fr= 1--      -7.107                 14.359                 -2.911
 Raman3 Fr= 1--       7.788                  2.127                  9.192
 ROA3   Fr= 1--    -113.249                 66.638                -32.917
 CID3   Fr= 1--     -14.541                 31.336                 -3.581
 RC180  Fr= 1--       0.464                  0.220                 -0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.08  -0.08     0.03   0.08   0.09    -0.05   0.03  -0.08
     2   6     0.03  -0.02   0.07     0.12  -0.08  -0.05     0.04  -0.01  -0.09
     3   6     0.05  -0.04   0.08     0.02   0.04  -0.02    -0.05  -0.10  -0.06
     4   6     0.04   0.01   0.03     0.02   0.06  -0.02    -0.07  -0.18   0.12
     5   6    -0.05   0.05   0.02    -0.09   0.12   0.00    -0.14  -0.02   0.16
     6   6    -0.06  -0.10   0.12     0.10  -0.06  -0.07     0.13   0.12  -0.01
     7   6    -0.09  -0.06   0.02    -0.05  -0.12  -0.07    -0.10   0.11   0.13
     8   6    -0.02   0.01   0.01    -0.04  -0.11  -0.04     0.01  -0.06  -0.05
     9   8    -0.12   0.04   0.01     0.04   0.14   0.10     0.19   0.06   0.00
    10   6     0.19  -0.08  -0.07    -0.05   0.00  -0.00    -0.03  -0.02   0.02
    11   6    -0.06   0.11  -0.16    -0.01  -0.04   0.05     0.03   0.09  -0.14
    12   1     0.12  -0.11   0.17    -0.09   0.17  -0.17    -0.06   0.03  -0.14
    13   1     0.10  -0.06  -0.03    -0.08   0.04   0.16    -0.09  -0.07   0.02
    14   1     0.12   0.04  -0.11     0.08   0.09  -0.13     0.14  -0.08  -0.08
    15   1     0.10  -0.11   0.11     0.07  -0.03   0.07     0.04  -0.40   0.29
    16   1    -0.10   0.15   0.06     0.00  -0.33  -0.10    -0.35   0.13   0.11
    17   1    -0.16  -0.14  -0.16    -0.27  -0.21   0.10    -0.03   0.10  -0.05
    18   1    -0.14   0.10   0.07    -0.20   0.23   0.03    -0.03  -0.06   0.07
    19   1    -0.02   0.14   0.00    -0.09   0.05   0.03     0.02  -0.07  -0.07
    20   1    -0.08  -0.04  -0.05    -0.14  -0.07  -0.01     0.02  -0.06  -0.05
    21   1    -0.05  -0.00  -0.03    -0.16  -0.30  -0.10     0.02  -0.04  -0.04
    22   1     0.31  -0.19  -0.11    -0.17  -0.05  -0.05     0.13  -0.11   0.00
    23   1     0.04  -0.11   0.04    -0.21  -0.02  -0.02    -0.15  -0.04   0.10
    24   1     0.21  -0.14  -0.06     0.11  -0.08  -0.15    -0.06  -0.09   0.09
    25   1    -0.15   0.19  -0.36    -0.02  -0.12   0.03     0.06   0.10  -0.08
    26   1    -0.18   0.01   0.01    -0.02  -0.18   0.13     0.06   0.21  -0.22
    27   1    -0.15   0.09  -0.14    -0.02  -0.02  -0.11     0.08   0.09  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    575.6644               617.7959               651.7514
 Red. masses --      3.6014                 2.6551                 3.7585
 Frc consts  --      0.7032                 0.5971                 0.9406
 IR Inten    --      1.1440                 1.4312                 2.9251
 RamAct Fr= 1--      2.9697                 2.7438                39.4149
  Dep-P Fr= 1--      0.4758                 0.5493                 0.0165
  Dep-U Fr= 1--      0.6448                 0.7091                 0.0326
 Alpha2 Fr= 1--      0.0163                 0.0105                 0.8426
 Beta2  Fr= 1--      0.3192                 0.3243                 0.2138
 AlphaG Fr= 1--     -0.0310                -0.0839                 0.4503
 Gamma2 Fr= 1--      0.5347                 0.2016                -0.4671
 Delta2 Fr= 1--     -0.5654                 0.1872                 0.1391
 Raman1 Fr= 1--      11.879                 10.975                157.660
 ROA1   Fr= 1--      33.235                 25.345                -40.387
 CID1   Fr= 1--       2.798                  2.309                 -0.256
 Raman2 Fr= 1--       3.830                  3.891                  2.566
 ROA2   Fr= 1--      17.355                  3.342                -12.323
 CID2   Fr= 1--       4.531                  0.859                 -4.802
 Raman3 Fr= 1--       7.660                  7.783                  5.132
 ROA3   Fr= 1--      33.235                 25.345                -40.387
 CID3   Fr= 1--       4.339                  3.257                 -7.869
 RC180  Fr= 1--       0.290                  0.418                 -0.935
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.06   0.06    -0.03  -0.06  -0.01    -0.04   0.05  -0.02
     2   6     0.05   0.10  -0.05     0.04   0.07  -0.05     0.03   0.04   0.07
     3   6    -0.04  -0.03  -0.11     0.03   0.05  -0.13    -0.03  -0.08   0.11
     4   6    -0.06  -0.12  -0.02    -0.01  -0.01  -0.06    -0.01  -0.08   0.04
     5   6    -0.06  -0.08   0.04    -0.05  -0.06  -0.03     0.05  -0.09   0.01
     6   6    -0.06   0.12  -0.13     0.08  -0.14   0.18     0.06  -0.04  -0.11
     7   6    -0.10  -0.04  -0.02    -0.04  -0.08   0.05     0.04  -0.19  -0.18
     8   6     0.04   0.17   0.05     0.02   0.12   0.04     0.04   0.21   0.09
     9   8    -0.02   0.00   0.07     0.01   0.08  -0.03     0.03   0.05   0.05
    10   6     0.19  -0.03  -0.09    -0.05   0.01   0.01    -0.13   0.03   0.06
    11   6    -0.02  -0.06   0.14     0.01  -0.05   0.05     0.00   0.09  -0.13
    12   1    -0.13   0.03  -0.21     0.04   0.03  -0.12    -0.03  -0.15   0.14
    13   1    -0.12  -0.03   0.02     0.02   0.03  -0.13    -0.03  -0.13   0.09
    14   1    -0.01  -0.09  -0.02     0.02   0.01  -0.04    -0.10  -0.12   0.13
    15   1    -0.04  -0.14   0.05     0.02  -0.01   0.03    -0.07   0.00  -0.07
    16   1    -0.20  -0.28  -0.07    -0.12   0.50   0.13    -0.07  -0.34  -0.22
    17   1     0.02   0.08   0.17    -0.15  -0.28  -0.53     0.03  -0.18  -0.10
    18   1    -0.13   0.08  -0.01    -0.04  -0.05  -0.05    -0.01  -0.12   0.09
    19   1     0.02   0.14   0.08     0.01   0.08   0.07     0.02   0.34   0.12
    20   1     0.05   0.22   0.10     0.01   0.21   0.13    -0.02   0.18   0.05
    21   1     0.02   0.13   0.06     0.00   0.02   0.07    -0.01   0.20   0.04
    22   1     0.03   0.03  -0.09    -0.09   0.05   0.03    -0.03  -0.00   0.06
    23   1     0.18  -0.01  -0.19     0.01   0.02  -0.03    -0.13   0.02   0.12
    24   1     0.28  -0.05  -0.19    -0.06   0.04   0.01    -0.19   0.04   0.12
    25   1    -0.07   0.10   0.02     0.04  -0.04   0.12     0.03   0.03  -0.08
    26   1    -0.08  -0.07   0.20     0.04   0.05  -0.03     0.04   0.10  -0.17
    27   1    -0.13  -0.10   0.26     0.05  -0.05   0.13     0.04   0.11  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    713.9552               754.7638               835.7097
 Red. masses --      3.0064                 2.0851                 1.5088
 Frc consts  --      0.9029                 0.6998                 0.6208
 IR Inten    --      0.6072                10.7292                 0.5101
 RamAct Fr= 1--      6.1851                 3.6965                 2.0205
  Dep-P Fr= 1--      0.4664                 0.6624                 0.1873
  Dep-U Fr= 1--      0.6361                 0.7969                 0.3156
 Alpha2 Fr= 1--      0.0354                 0.0058                 0.0284
 Beta2  Fr= 1--      0.6557                 0.4910                 0.1063
 AlphaG Fr= 1--      0.0553                 0.0164                 0.0954
 Gamma2 Fr= 1--      2.4491                 0.0996                -0.9958
 Delta2 Fr= 1--      0.9941                -0.0050                -0.2810
 Raman1 Fr= 1--      24.741                 14.786                  8.082
 ROA1   Fr= 1--     266.920                  9.398               -104.592
 CID1   Fr= 1--      10.789                  0.636                -12.941
 Raman2 Fr= 1--       7.869                  5.892                  1.275
 ROA2   Fr= 1--      50.825                  2.430                -21.652
 CID2   Fr= 1--       6.459                  0.412                -16.980
 Raman3 Fr= 1--      15.737                 11.783                  2.550
 ROA3   Fr= 1--     266.920                  9.398               -104.592
 CID3   Fr= 1--      16.961                  0.798                -41.011
 RC180  Fr= 1--       0.272                  0.594                 -0.369
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.18   0.12    -0.03  -0.07  -0.04     0.01   0.01   0.02
     2   6     0.03   0.03  -0.10     0.20  -0.05   0.03    -0.10   0.02   0.01
     3   6    -0.01  -0.02  -0.13     0.09  -0.02  -0.01     0.04  -0.04  -0.02
     4   6    -0.02  -0.11   0.04     0.03   0.02  -0.03     0.09   0.01  -0.06
     5   6     0.13  -0.03   0.10    -0.03  -0.05  -0.04     0.04   0.01   0.05
     6   6    -0.09  -0.05  -0.02    -0.07   0.02   0.02     0.03   0.03   0.01
     7   6     0.10  -0.01   0.04    -0.04   0.07   0.05    -0.08  -0.04   0.02
     8   6    -0.00  -0.03  -0.03     0.05   0.01   0.02    -0.04  -0.02  -0.00
     9   8    -0.12  -0.04  -0.00    -0.06  -0.02   0.02     0.04   0.01  -0.01
    10   6    -0.05   0.04   0.05    -0.05  -0.01   0.02     0.02  -0.01  -0.00
    11   6     0.03   0.05  -0.02    -0.00   0.02  -0.06     0.00   0.01  -0.01
    12   1    -0.07   0.08  -0.23    -0.24   0.15  -0.38    -0.30  -0.19  -0.23
    13   1    -0.04   0.07  -0.02    -0.14   0.01   0.45    -0.03   0.25   0.25
    14   1    -0.12  -0.16   0.17    -0.19  -0.11  -0.01    -0.35  -0.26   0.01
    15   1    -0.08   0.05  -0.03    -0.01   0.28   0.02    -0.03   0.48  -0.13
    16   1    -0.10   0.27   0.07     0.05   0.00   0.05    -0.19  -0.04   0.01
    17   1     0.28   0.03  -0.25     0.02   0.14   0.17    -0.15  -0.10  -0.05
    18   1     0.15   0.09  -0.00     0.03  -0.15  -0.01    -0.01  -0.02   0.12
    19   1    -0.05   0.03   0.03    -0.03   0.34   0.12     0.03  -0.21  -0.11
    20   1    -0.06   0.04   0.02    -0.12  -0.01  -0.03     0.09  -0.08  -0.04
    21   1    -0.08  -0.18  -0.06    -0.12  -0.19  -0.11     0.10   0.20   0.07
    22   1    -0.14  -0.08  -0.03    -0.07   0.03   0.03     0.01  -0.00  -0.00
    23   1    -0.35  -0.00   0.09     0.01   0.00  -0.00     0.02  -0.01   0.01
    24   1     0.17  -0.11  -0.13    -0.09   0.03   0.05     0.03  -0.01  -0.00
    25   1    -0.02  -0.06  -0.10     0.02   0.05  -0.02    -0.01   0.00  -0.03
    26   1    -0.02  -0.15   0.12     0.02   0.11  -0.13    -0.01  -0.01   0.02
    27   1     0.02   0.10  -0.28     0.01   0.00   0.03    -0.00   0.02  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    862.7008               872.9886               925.8613
 Red. masses --      2.6432                 2.2037                 2.5963
 Frc consts  --      1.1591                 0.9895                 1.3113
 IR Inten    --      2.8594                 0.7250                 1.5718
 RamAct Fr= 1--      5.9794                11.0195                 7.6812
  Dep-P Fr= 1--      0.1085                 0.2180                 0.1862
  Dep-U Fr= 1--      0.1957                 0.3579                 0.3139
 Alpha2 Fr= 1--      0.1025                 0.1426                 0.1082
 Beta2  Fr= 1--      0.1950                 0.6573                 0.4018
 AlphaG Fr= 1--      0.0144                -0.2765                -0.0141
 Gamma2 Fr= 1--     -0.7110                -0.4716                 3.2645
 Delta2 Fr= 1--     -0.5268                -0.1896                 0.3566
 Raman1 Fr= 1--      23.918                 44.078                 30.725
 ROA1   Fr= 1--     -85.118                -51.344                324.801
 CID1   Fr= 1--      -3.559                 -1.165                 10.571
 Raman2 Fr= 1--       2.341                  7.888                  4.822
 ROA2   Fr= 1--     -12.851                 -9.803                 75.495
 CID2   Fr= 1--      -5.490                 -1.243                 15.656
 Raman3 Fr= 1--       4.681                 15.776                  9.644
 ROA3   Fr= 1--     -85.118                -51.344                324.801
 CID3   Fr= 1--     -18.183                 -3.255                 33.678
 RC180  Fr= 1--      -0.609                 -0.284                 -0.372
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05     0.02   0.00   0.01     0.06   0.01   0.05
     2   6     0.04   0.04  -0.12     0.03  -0.03   0.11     0.02   0.04  -0.07
     3   6    -0.03  -0.11   0.10    -0.07   0.02  -0.12     0.04   0.04   0.21
     4   6     0.01   0.06  -0.05     0.03   0.15  -0.10    -0.02   0.02  -0.12
     5   6     0.12   0.18   0.15     0.07  -0.08   0.08    -0.02  -0.16  -0.10
     6   6    -0.02  -0.05  -0.09    -0.01   0.05  -0.03    -0.01   0.08  -0.01
     7   6     0.01  -0.01   0.08    -0.07  -0.05   0.06    -0.08  -0.04   0.08
     8   6     0.02   0.03  -0.04     0.01  -0.04   0.04    -0.01  -0.01  -0.08
     9   8    -0.05  -0.00   0.02     0.01  -0.00   0.01     0.03   0.00   0.01
    10   6    -0.01  -0.02  -0.02    -0.03   0.01   0.02    -0.02   0.03   0.05
    11   6    -0.02  -0.05   0.01     0.01   0.01  -0.01     0.03   0.04  -0.01
    12   1    -0.04  -0.08   0.07     0.12  -0.07   0.08     0.06   0.06   0.21
    13   1    -0.07  -0.23   0.11    -0.05  -0.25  -0.32     0.04  -0.09   0.14
    14   1     0.03   0.05  -0.29     0.24   0.29  -0.01     0.06   0.06  -0.13
    15   1    -0.03  -0.09  -0.24     0.05  -0.08  -0.20    -0.02  -0.12  -0.20
    16   1    -0.29   0.07   0.06    -0.42  -0.08   0.02    -0.21   0.10   0.09
    17   1    -0.07  -0.11  -0.15     0.08   0.01  -0.06     0.08   0.01  -0.10
    18   1     0.20   0.08   0.15     0.13  -0.27   0.17     0.06  -0.23  -0.14
    19   1    -0.06  -0.07   0.08     0.03   0.23  -0.01    -0.06  -0.34   0.01
    20   1     0.01   0.29   0.19    -0.08  -0.28  -0.19     0.09   0.30   0.21
    21   1    -0.05  -0.24   0.01    -0.03   0.08  -0.08     0.01  -0.22   0.07
    22   1     0.05   0.06   0.03    -0.04   0.01   0.02    -0.19  -0.02   0.00
    23   1     0.19   0.00  -0.03    -0.03   0.01   0.01    -0.19   0.02  -0.01
    24   1    -0.15   0.09   0.08    -0.02   0.01   0.01     0.17  -0.06  -0.13
    25   1     0.04   0.04   0.12    -0.02   0.04  -0.08    -0.03  -0.01  -0.14
    26   1     0.03   0.17  -0.15    -0.02  -0.02   0.04    -0.02  -0.15   0.14
    27   1     0.05  -0.08   0.25    -0.02   0.01  -0.03    -0.03   0.06  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    943.2564               947.6016               960.1503
 Red. masses --      1.7432                 2.1614                 1.6906
 Frc consts  --      0.9138                 1.1435                 0.9183
 IR Inten    --      3.5261                 2.9866                 2.3822
 RamAct Fr= 1--      3.9326                 3.5037                 7.4239
  Dep-P Fr= 1--      0.5028                 0.7362                 0.7376
  Dep-U Fr= 1--      0.6691                 0.8480                 0.8490
 Alpha2 Fr= 1--      0.0192                 0.0008                 0.0016
 Beta2  Fr= 1--      0.4386                 0.4952                 1.0505
 AlphaG Fr= 1--     -0.0030                 0.0117                 0.0158
 Gamma2 Fr= 1--      0.6615                 0.6661                -0.7586
 Delta2 Fr= 1--      1.3066                 1.2814                -2.1985
 Raman1 Fr= 1--      15.731                 14.015                 29.696
 ROA1   Fr= 1--     105.312                104.946               -143.178
 CID1   Fr= 1--       6.695                  7.488                 -4.822
 Raman2 Fr= 1--       5.263                  5.943                 12.606
 ROA2   Fr= 1--       5.423                  5.734                 -0.619
 CID2   Fr= 1--       1.030                  0.965                 -0.049
 Raman3 Fr= 1--      10.526                 11.885                 25.212
 ROA3   Fr= 1--     105.312                104.946               -143.178
 CID3   Fr= 1--      10.005                  8.830                 -5.679
 RC180  Fr= 1--       0.338                  0.696                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.01     0.05  -0.09   0.05    -0.03   0.08  -0.08
     2   6    -0.03  -0.02   0.05     0.00  -0.00   0.04     0.01  -0.01   0.02
     3   6     0.09   0.03   0.01     0.02   0.15   0.01     0.02   0.08   0.04
     4   6    -0.08   0.01  -0.03    -0.04  -0.15  -0.04    -0.02  -0.08  -0.03
     5   6    -0.05   0.04  -0.01     0.10   0.06   0.01     0.04  -0.01  -0.02
     6   6    -0.02   0.05  -0.09     0.01  -0.02   0.00     0.01  -0.02  -0.03
     7   6     0.11  -0.10   0.05    -0.09   0.03   0.01    -0.04   0.01   0.03
     8   6    -0.03  -0.01   0.04     0.00  -0.02   0.01     0.03  -0.02   0.01
     9   8    -0.00  -0.02   0.01    -0.01   0.00   0.00     0.00   0.01   0.01
    10   6    -0.04  -0.02  -0.01    -0.05  -0.05   0.05    -0.02   0.06  -0.09
    11   6     0.03   0.00  -0.01     0.03   0.02  -0.09     0.01  -0.05   0.09
    12   1    -0.08   0.14  -0.18     0.17   0.15   0.14     0.05   0.05   0.07
    13   1    -0.01   0.10   0.23     0.14   0.23  -0.18     0.08   0.18   0.00
    14   1     0.05   0.06  -0.31    -0.04  -0.14   0.06    -0.08  -0.13   0.00
    15   1     0.05  -0.14   0.25    -0.11  -0.09  -0.20    -0.05  -0.01  -0.09
    16   1    -0.19   0.22   0.07    -0.16  -0.16  -0.03    -0.15  -0.04   0.01
    17   1     0.32  -0.06  -0.32    -0.24  -0.04   0.11    -0.08  -0.02  -0.01
    18   1    -0.08   0.23  -0.13     0.14   0.30  -0.22     0.22  -0.09  -0.14
    19   1     0.05  -0.01  -0.08     0.00   0.04   0.00    -0.01   0.16   0.05
    20   1     0.03  -0.19  -0.12    -0.03  -0.07  -0.04    -0.08  -0.06  -0.04
    21   1     0.07   0.24   0.03    -0.01  -0.01  -0.02    -0.06  -0.07  -0.07
    22   1     0.02   0.06   0.05    -0.32   0.17   0.12     0.57  -0.18  -0.12
    23   1     0.15   0.00  -0.01     0.23   0.02  -0.15    -0.19  -0.02   0.28
    24   1    -0.18   0.07   0.11    -0.05   0.13  -0.03    -0.26  -0.07   0.25
    25   1    -0.03   0.08  -0.16    -0.00   0.18  -0.17    -0.04  -0.00  -0.01
    26   1    -0.05  -0.05   0.10    -0.03   0.13  -0.09    -0.06  -0.12   0.20
    27   1    -0.05  -0.02   0.02    -0.02  -0.03   0.11    -0.08  -0.07   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --    965.9966              1002.1255              1031.6657
 Red. masses --      1.5812                 1.7346                 1.5054
 Frc consts  --      0.8693                 1.0264                 0.9440
 IR Inten    --      3.4848                 0.0762                 1.5936
 RamAct Fr= 1--      6.5630                 3.8370                 2.7024
  Dep-P Fr= 1--      0.7272                 0.6393                 0.7193
  Dep-U Fr= 1--      0.8421                 0.7800                 0.8367
 Alpha2 Fr= 1--      0.0026                 0.0077                 0.0014
 Beta2  Fr= 1--      0.9211                 0.4988                 0.3769
 AlphaG Fr= 1--     -0.0026                 0.0270                -0.0011
 Gamma2 Fr= 1--      0.0227                 0.7197                -0.5641
 Delta2 Fr= 1--     -2.1683                 0.4946                -0.6567
 Raman1 Fr= 1--      26.252                 15.348                 10.809
 ROA1   Fr= 1--     -67.208                 84.919                -75.171
 CID1   Fr= 1--      -2.560                  5.533                 -6.954
 Raman2 Fr= 1--      11.053                  5.986                  4.522
 ROA2   Fr= 1--      17.891                 13.316                 -8.286
 CID2   Fr= 1--       1.619                  2.225                 -1.832
 Raman3 Fr= 1--      22.106                 11.971                  9.045
 ROA3   Fr= 1--     -67.208                 84.919                -75.171
 CID3   Fr= 1--      -3.040                  7.094                 -8.311
 RC180  Fr= 1--       0.684                  0.560                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.03     0.02  -0.00  -0.01    -0.01  -0.01   0.02
     2   6     0.00  -0.01   0.02     0.01  -0.00  -0.03    -0.01  -0.01   0.01
     3   6     0.03   0.04   0.02    -0.01  -0.09  -0.03    -0.01   0.04  -0.01
     4   6    -0.03  -0.03  -0.02     0.02   0.03   0.12    -0.01  -0.01  -0.06
     5   6     0.02  -0.01  -0.01     0.08   0.03  -0.12    -0.06  -0.03   0.09
     6   6     0.00  -0.00  -0.04    -0.01   0.02  -0.01     0.02  -0.06   0.02
     7   6     0.00  -0.02   0.03    -0.08   0.00   0.03     0.03   0.04  -0.02
     8   6     0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03   0.01  -0.03
     9   8     0.00   0.00   0.01    -0.00   0.00   0.00     0.00   0.01  -0.00
    10   6     0.10  -0.04  -0.03    -0.04  -0.05  -0.02    -0.02  -0.07  -0.05
    11   6    -0.10   0.05   0.02     0.04   0.06   0.05     0.04   0.08   0.03
    12   1     0.03   0.07   0.01    -0.01   0.07  -0.12    -0.02  -0.11   0.06
    13   1     0.04   0.08   0.03    -0.09  -0.19   0.07     0.04   0.09  -0.07
    14   1    -0.00  -0.03  -0.05     0.13   0.11   0.27    -0.08  -0.07  -0.19
    15   1    -0.02  -0.06  -0.01     0.04  -0.02   0.15    -0.01   0.03  -0.05
    16   1    -0.13   0.04   0.03    -0.08   0.01   0.03     0.08  -0.06  -0.04
    17   1     0.01  -0.05  -0.12    -0.27  -0.12  -0.03     0.18   0.16   0.12
    18   1     0.15  -0.08  -0.10     0.23   0.02  -0.27    -0.18  -0.09   0.27
    19   1     0.01   0.15   0.02     0.00  -0.05  -0.02    -0.05  -0.00   0.08
    20   1    -0.06  -0.10  -0.07     0.04   0.03   0.02    -0.03   0.17   0.10
    21   1    -0.03   0.01  -0.05     0.03   0.05   0.03    -0.04  -0.20  -0.01
    22   1    -0.04   0.05  -0.01    -0.00   0.13   0.09     0.07   0.13   0.08
    23   1     0.21  -0.01  -0.16     0.30  -0.00  -0.07     0.37  -0.02  -0.06
    24   1     0.14   0.03  -0.11    -0.25   0.15   0.13    -0.28   0.16   0.14
    25   1     0.08  -0.40   0.46    -0.05  -0.11  -0.12    -0.06  -0.09  -0.15
    26   1     0.19   0.01  -0.25    -0.03  -0.29   0.27    -0.03  -0.27   0.26
    27   1     0.22   0.19  -0.38    -0.06   0.10  -0.31    -0.07   0.12  -0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1038.3920              1055.1510              1100.6715
 Red. masses --      1.9881                 2.1209                 1.3160
 Frc consts  --      1.2630                 1.3913                 0.9393
 IR Inten    --     33.9385                27.0705                 2.6754
 RamAct Fr= 1--      4.3601                 2.3466                 3.0153
  Dep-P Fr= 1--      0.6897                 0.6712                 0.6855
  Dep-U Fr= 1--      0.8163                 0.8033                 0.8134
 Alpha2 Fr= 1--      0.0046                 0.0033                 0.0034
 Beta2  Fr= 1--      0.5932                 0.3142                 0.4088
 AlphaG Fr= 1--      0.0193                -0.0229                -0.0041
 Gamma2 Fr= 1--      0.5933                -0.7157                -1.4120
 Delta2 Fr= 1--      0.6802                 0.5172                -0.7988
 Raman1 Fr= 1--      17.441                  9.386                 12.061
 ROA1   Fr= 1--      78.719                -52.158               -161.117
 CID1   Fr= 1--       4.514                 -5.557                -13.358
 Raman2 Fr= 1--       7.119                  3.770                  4.905
 ROA2   Fr= 1--       8.797                -21.315                -27.498
 CID2   Fr= 1--       1.236                 -5.654                 -5.606
 Raman3 Fr= 1--      14.237                  7.540                  9.810
 ROA3   Fr= 1--      78.719                -52.158               -161.117
 CID3   Fr= 1--       5.529                 -6.918                -16.423
 RC180  Fr= 1--       0.633                  0.607                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.01   0.01  -0.02     0.02   0.01  -0.03
     2   6     0.02   0.08   0.01     0.04   0.05  -0.01    -0.03   0.01   0.05
     3   6    -0.06  -0.01   0.02     0.09  -0.00  -0.01     0.02  -0.01  -0.03
     4   6     0.06  -0.03   0.02    -0.08  -0.02  -0.02    -0.05   0.03   0.01
     5   6    -0.01   0.00  -0.04     0.09  -0.00   0.07     0.04  -0.01  -0.01
     6   6    -0.05   0.18   0.06    -0.03   0.10   0.18     0.00   0.00   0.09
     7   6     0.00  -0.12  -0.00    -0.02  -0.05  -0.12     0.00  -0.01  -0.05
     8   6     0.08  -0.08  -0.04    -0.05  -0.03  -0.01     0.03   0.00  -0.06
     9   8     0.03  -0.02  -0.01    -0.01  -0.02  -0.03     0.00  -0.00  -0.02
    10   6    -0.02  -0.03  -0.02    -0.01   0.01  -0.03    -0.01   0.01   0.01
    11   6    -0.02  -0.02   0.01    -0.02   0.01   0.02    -0.02  -0.01   0.00
    12   1     0.02  -0.13   0.15     0.11   0.47  -0.23    -0.15  -0.28  -0.04
    13   1     0.03   0.02  -0.14    -0.09  -0.21   0.20     0.03   0.14   0.03
    14   1    -0.06  -0.08   0.23     0.11   0.08  -0.13     0.03   0.06  -0.18
    15   1    -0.01   0.16  -0.07    -0.10  -0.30  -0.23     0.11   0.00   0.42
    16   1     0.05   0.17   0.05     0.08  -0.17  -0.13    -0.42  -0.33  -0.15
    17   1     0.09  -0.10  -0.17    -0.10  -0.05   0.09     0.20   0.13   0.07
    18   1    -0.39   0.37   0.06    -0.10  -0.04   0.29     0.20   0.10  -0.25
    19   1    -0.05   0.20   0.12     0.03  -0.23  -0.12    -0.06  -0.07   0.08
    20   1    -0.16  -0.02  -0.02     0.10  -0.08  -0.03    -0.02   0.18   0.10
    21   1    -0.16  -0.39  -0.18     0.07   0.13   0.07    -0.04  -0.25  -0.01
    22   1     0.04   0.06   0.04     0.12  -0.02  -0.02    -0.05  -0.00   0.00
    23   1     0.16  -0.01  -0.01     0.00   0.00   0.04    -0.04   0.01  -0.00
    24   1    -0.16   0.09   0.08    -0.10   0.01   0.07     0.02  -0.00  -0.01
    25   1     0.02  -0.02   0.08     0.01  -0.10   0.10     0.02  -0.03   0.08
    26   1     0.02   0.06  -0.07     0.03  -0.03  -0.01     0.02   0.04  -0.06
    27   1     0.04  -0.01   0.05     0.02   0.04  -0.08     0.03  -0.01   0.04
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1118.7863              1150.2234              1172.6014
 Red. masses --      1.4434                 2.0081                 2.4729
 Frc consts  --      1.0645                 1.5653                 2.0033
 IR Inten    --      5.4097                 1.4389                 0.6037
 RamAct Fr= 1--      7.5337                 2.2439                 9.9237
  Dep-P Fr= 1--      0.7487                 0.6891                 0.7500
  Dep-U Fr= 1--      0.8563                 0.8159                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0024                 0.0000
 Beta2  Fr= 1--      1.0752                 0.3051                 1.4177
 AlphaG Fr= 1--     -0.0003                 0.0159                -0.0021
 Gamma2 Fr= 1--      0.9791                -0.2409                 3.1936
 Delta2 Fr= 1--      0.0182                -1.4447                 0.0973
 Raman1 Fr= 1--      30.135                  8.976                 39.695
 ROA1   Fr= 1--      94.573                -69.353                309.696
 CID1   Fr= 1--       3.138                 -7.727                  7.802
 Raman2 Fr= 1--      12.902                  3.662                 17.012
 ROA2   Fr= 1--      23.353                  5.776                 75.867
 CID2   Fr= 1--       1.810                  1.577                  4.460
 Raman3 Fr= 1--      25.804                  7.324                 34.024
 ROA3   Fr= 1--      94.573                -69.353                309.696
 CID3   Fr= 1--       3.665                 -9.470                  9.102
 RC180  Fr= 1--       0.713                  0.632                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.06    -0.11  -0.06   0.11    -0.03   0.07   0.15
     2   6     0.07  -0.01   0.07    -0.04  -0.04   0.14    -0.14   0.10  -0.08
     3   6     0.00   0.03  -0.02     0.03   0.04  -0.07     0.10  -0.05   0.03
     4   6     0.04  -0.01  -0.03    -0.03  -0.01  -0.01    -0.07   0.07  -0.03
     5   6    -0.01  -0.03   0.00    -0.00   0.03   0.03     0.03  -0.12   0.01
     6   6     0.02  -0.05  -0.03    -0.02   0.07  -0.04     0.04  -0.08  -0.00
     7   6    -0.02   0.01   0.03     0.06  -0.02  -0.01    -0.03   0.04  -0.01
     8   6    -0.07   0.02  -0.05     0.03   0.03  -0.09     0.06  -0.05   0.04
     9   8    -0.01   0.01   0.01     0.01  -0.02   0.00     0.02   0.02  -0.00
    10   6    -0.02  -0.00  -0.06     0.05   0.03  -0.03     0.02  -0.04  -0.05
    11   6    -0.05  -0.01  -0.03     0.03   0.02  -0.05     0.02  -0.04  -0.06
    12   1     0.02  -0.01   0.01    -0.05  -0.03  -0.10    -0.15  -0.08  -0.16
    13   1    -0.10  -0.27   0.01    -0.08  -0.14   0.05    -0.03  -0.03   0.27
    14   1     0.07   0.05   0.37     0.07   0.07   0.15     0.21   0.26   0.20
    15   1     0.01   0.09  -0.05    -0.01  -0.03   0.04    -0.02  -0.20  -0.06
    16   1    -0.09  -0.01   0.02     0.19   0.11   0.02     0.16  -0.00  -0.00
    17   1     0.25   0.17   0.05    -0.44  -0.35  -0.14    -0.06   0.06   0.10
    18   1    -0.16   0.35  -0.15     0.16  -0.13  -0.01    -0.03   0.18  -0.16
    19   1    -0.02  -0.36  -0.09    -0.11  -0.15   0.14     0.01   0.29   0.08
    20   1     0.17   0.12   0.09     0.00   0.31   0.18    -0.20  -0.16  -0.11
    21   1     0.11   0.07   0.16    -0.02  -0.32   0.04    -0.12  -0.08  -0.19
    22   1     0.22  -0.00  -0.02     0.16  -0.10  -0.08     0.15   0.06   0.02
    23   1     0.06  -0.01   0.10    -0.07  -0.01   0.07     0.19  -0.02   0.01
    24   1    -0.20   0.03   0.14     0.08  -0.11   0.00    -0.11   0.06   0.06
    25   1     0.04  -0.02   0.15    -0.02   0.10  -0.17     0.03   0.20  -0.07
    26   1     0.05   0.14  -0.20    -0.04   0.03   0.01    -0.07   0.19  -0.07
    27   1     0.09   0.01   0.03    -0.06  -0.00  -0.01    -0.01  -0.08   0.19
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1190.7283              1217.6680              1227.5882
 Red. masses --      1.6658                 1.9596                 1.7578
 Frc consts  --      1.3916                 1.7119                 1.5607
 IR Inten    --      5.2225                 1.4716                 4.8054
 RamAct Fr= 1--      3.0556                 3.8612                 4.9770
  Dep-P Fr= 1--      0.7466                 0.7128                 0.6359
  Dep-U Fr= 1--      0.8549                 0.8323                 0.7774
 Alpha2 Fr= 1--      0.0002                 0.0025                 0.0103
 Beta2  Fr= 1--      0.4354                 0.5356                 0.6449
 AlphaG Fr= 1--      0.0002                 0.0064                -0.0534
 Gamma2 Fr= 1--      1.6588                -1.8803                -1.2915
 Delta2 Fr= 1--      0.7694                -1.5812                -1.9444
 Raman1 Fr= 1--      12.222                 15.445                 19.908
 ROA1   Fr= 1--     183.862               -231.105               -186.206
 CID1   Fr= 1--      15.043                -14.963                 -9.353
 Raman2 Fr= 1--       5.224                  6.428                  7.739
 ROA2   Fr= 1--      33.655                -32.477                -15.440
 CID2   Fr= 1--       6.442                 -5.053                 -1.995
 Raman3 Fr= 1--      10.449                 12.855                 15.477
 ROA3   Fr= 1--     183.862               -231.105               -186.206
 CID3   Fr= 1--      17.596                -17.978                -12.031
 RC180  Fr= 1--       0.710                  0.665                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.09  -0.00    -0.10  -0.05   0.05    -0.08   0.17   0.03
     2   6    -0.10  -0.11  -0.06     0.08   0.15  -0.07    -0.02  -0.03   0.03
     3   6     0.01  -0.03   0.01    -0.04   0.05   0.04    -0.02  -0.02  -0.01
     4   6     0.05   0.01  -0.01     0.05  -0.03  -0.05     0.04  -0.03   0.01
     5   6    -0.00   0.03  -0.00    -0.07   0.00   0.05    -0.05   0.05  -0.06
     6   6     0.01  -0.01   0.05    -0.01  -0.01   0.05     0.00   0.00   0.04
     7   6     0.02  -0.00   0.02     0.08   0.01  -0.04     0.01  -0.04  -0.00
     8   6     0.05   0.05   0.02    -0.03  -0.06   0.04     0.00   0.01  -0.03
     9   8     0.02   0.00  -0.01    -0.02  -0.01  -0.01     0.01   0.00  -0.01
    10   6     0.03   0.05   0.01     0.03   0.00  -0.01     0.02  -0.07   0.01
    11   6     0.03   0.04   0.00     0.05   0.03  -0.01     0.04  -0.07  -0.03
    12   1     0.12   0.36  -0.09     0.02  -0.08   0.16     0.19   0.44  -0.06
    13   1    -0.02  -0.09   0.03    -0.16  -0.47  -0.02    -0.03  -0.08  -0.01
    14   1     0.04   0.03   0.23    -0.11  -0.12   0.02    -0.06  -0.09   0.04
    15   1    -0.04   0.04  -0.25     0.11   0.23   0.28     0.00   0.07  -0.04
    16   1    -0.36  -0.17  -0.04    -0.22  -0.22  -0.11    -0.19  -0.09  -0.04
    17   1     0.25   0.14   0.03    -0.10  -0.10  -0.03     0.26   0.10  -0.02
    18   1    -0.20   0.40  -0.09     0.24   0.03  -0.29     0.18  -0.40   0.06
    19   1    -0.01   0.20   0.10     0.07  -0.01  -0.11    -0.03  -0.05   0.03
    20   1    -0.07   0.10   0.04     0.00  -0.26  -0.14     0.01   0.09   0.05
    21   1    -0.02   0.00  -0.04    -0.02   0.10  -0.05     0.01  -0.04   0.03
    22   1     0.04  -0.12  -0.08     0.06  -0.04  -0.03    -0.07   0.12   0.09
    23   1    -0.15   0.01   0.03     0.02  -0.00  -0.01     0.25  -0.01  -0.15
    24   1     0.15  -0.12  -0.05     0.06  -0.04  -0.02     0.02   0.13  -0.08
    25   1    -0.03  -0.05  -0.10    -0.03   0.04  -0.16     0.03   0.21  -0.07
    26   1    -0.02  -0.11   0.11    -0.05  -0.05   0.12    -0.13   0.13   0.05
    27   1    -0.07   0.04  -0.12    -0.11   0.01  -0.06    -0.08  -0.14   0.27
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1247.1377              1268.4348              1274.4583
 Red. masses --      1.8129                 1.9812                 1.4935
 Frc consts  --      1.6613                 1.8781                 1.4293
 IR Inten    --      3.0014                 0.0404                 3.8605
 RamAct Fr= 1--     10.8814                 3.3977                10.6481
  Dep-P Fr= 1--      0.5861                 0.5669                 0.7391
  Dep-U Fr= 1--      0.7391                 0.7236                 0.8500
 Alpha2 Fr= 1--      0.0333                 0.0118                 0.0020
 Beta2  Fr= 1--      1.3404                 0.4098                 1.5085
 AlphaG Fr= 1--      0.0552                -0.0082                -0.0067
 Gamma2 Fr= 1--      0.5739                 0.2539                 3.3101
 Delta2 Fr= 1--     -1.4613                 0.6442                 1.5961
 Raman1 Fr= 1--      43.526                 13.591                 42.593
 ROA1   Fr= 1--       8.336                 44.989                368.847
 CID1   Fr= 1--       0.192                  3.310                  8.660
 Raman2 Fr= 1--      16.084                  4.917                 18.101
 ROA2   Fr= 1--      25.465                  0.940                 66.674
 CID2   Fr= 1--       1.583                  0.191                  3.683
 Raman3 Fr= 1--      32.168                  9.835                 36.203
 ROA3   Fr= 1--       8.336                 44.989                368.847
 CID3   Fr= 1--       0.259                  4.574                 10.188
 RC180  Fr= 1--       0.478                  0.447                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.05   0.18    -0.11  -0.07   0.06    -0.06  -0.04   0.08
     2   6     0.00  -0.06  -0.06     0.02   0.07   0.03     0.11   0.02  -0.03
     3   6    -0.09  -0.05   0.01    -0.01   0.03  -0.04    -0.00  -0.06  -0.00
     4   6     0.03   0.04   0.00     0.00   0.00   0.10    -0.03   0.02   0.02
     5   6     0.02  -0.03  -0.03     0.09   0.05  -0.05    -0.04   0.05  -0.04
     6   6    -0.01   0.03   0.03     0.02  -0.04  -0.02    -0.01   0.01   0.04
     7   6     0.00   0.01  -0.00    -0.15  -0.09  -0.02     0.04  -0.01   0.00
     8   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.04  -0.00   0.01
     9   8     0.00  -0.01  -0.01     0.02   0.02   0.01    -0.01  -0.00  -0.00
    10   6    -0.03   0.02  -0.07     0.03   0.04  -0.01     0.01   0.01  -0.03
    11   6    -0.04   0.01  -0.05     0.03   0.01  -0.01     0.02   0.01  -0.02
    12   1     0.20   0.42   0.02    -0.02  -0.12   0.03    -0.10  -0.28   0.02
    13   1     0.10   0.22  -0.20    -0.08  -0.15   0.01     0.24   0.62  -0.08
    14   1    -0.16  -0.12  -0.48    -0.10  -0.11  -0.43     0.12   0.14   0.25
    15   1     0.11   0.13   0.26    -0.04  -0.06  -0.06    -0.12  -0.18  -0.34
    16   1    -0.02  -0.02  -0.01     0.29   0.26   0.09    -0.23  -0.11  -0.05
    17   1    -0.11  -0.06   0.00     0.53   0.34   0.12     0.08   0.01  -0.02
    18   1     0.06  -0.04  -0.05     0.06  -0.00   0.02     0.03  -0.16   0.05
    19   1     0.01   0.05  -0.00    -0.01  -0.04  -0.00     0.04  -0.06  -0.09
    20   1    -0.00   0.03   0.01    -0.01  -0.04  -0.03     0.10  -0.06  -0.02
    21   1     0.01   0.06  -0.00    -0.01  -0.05  -0.01     0.03   0.06   0.05
    22   1     0.25  -0.01  -0.04     0.08  -0.10  -0.07     0.11  -0.03  -0.03
    23   1     0.02  -0.01   0.19    -0.06   0.01   0.02     0.03  -0.00   0.04
    24   1    -0.17  -0.06   0.15     0.09  -0.10  -0.02    -0.00  -0.04   0.01
    25   1     0.02   0.04   0.05    -0.02   0.05  -0.13    -0.01   0.04  -0.09
    26   1     0.05   0.11  -0.17    -0.03   0.00   0.05    -0.02   0.02   0.01
    27   1     0.10   0.04  -0.04    -0.07  -0.00  -0.05    -0.05   0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1301.2303              1328.1778              1335.2907
 Red. masses --      2.1753                 1.6947                 1.4861
 Frc consts  --      2.1701                 1.7614                 1.5612
 IR Inten    --     11.3922                 3.0963                 1.5146
 RamAct Fr= 1--      7.9874                 8.7483                 3.8499
  Dep-P Fr= 1--      0.7326                 0.5909                 0.7098
  Dep-U Fr= 1--      0.8457                 0.7428                 0.8303
 Alpha2 Fr= 1--      0.0024                 0.0259                 0.0027
 Beta2  Fr= 1--      1.1258                 1.0831                 0.5327
 AlphaG Fr= 1--      0.0302                -0.0006                 0.0192
 Gamma2 Fr= 1--      2.9688                 2.1301                -0.9087
 Delta2 Fr= 1--      3.2576                 1.3852                -0.7336
 Raman1 Fr= 1--      31.950                 34.993                 15.400
 ROA1   Fr= 1--     389.246                248.818               -110.713
 CID1   Fr= 1--      12.183                  7.110                 -7.189
 Raman2 Fr= 1--      13.509                 12.997                  6.393
 ROA2   Fr= 1--      45.190                 40.042                -15.940
 CID2   Fr= 1--       3.345                  3.081                 -2.493
 Raman3 Fr= 1--      27.019                 25.994                 12.786
 ROA3   Fr= 1--     389.246                248.818               -110.713
 CID3   Fr= 1--      14.407                  9.572                 -8.659
 RC180  Fr= 1--       0.691                  0.486                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.08   0.03     0.10  -0.05  -0.01     0.02  -0.05   0.02
     2   6    -0.09   0.13   0.06    -0.04   0.02   0.00    -0.02   0.03  -0.01
     3   6     0.04   0.02  -0.04     0.01  -0.03   0.01    -0.00  -0.01   0.03
     4   6     0.03  -0.02   0.10     0.02  -0.00  -0.04    -0.06  -0.06  -0.11
     5   6    -0.07   0.06  -0.11    -0.12   0.07   0.10     0.06   0.09  -0.06
     6   6     0.02  -0.06  -0.02    -0.01   0.02   0.01     0.01  -0.02  -0.01
     7   6     0.07   0.05   0.04    -0.05  -0.07  -0.06    -0.03  -0.01   0.01
     8   6     0.03  -0.03  -0.01     0.02  -0.00   0.00     0.01  -0.01   0.01
     9   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    10   6    -0.03   0.03  -0.01    -0.02   0.01  -0.01    -0.01   0.02  -0.00
    11   6    -0.04   0.01  -0.01    -0.03   0.03  -0.00    -0.01   0.01  -0.00
    12   1     0.01   0.05  -0.07     0.02   0.14  -0.06     0.03   0.08   0.01
    13   1    -0.15  -0.30   0.13     0.04   0.06  -0.00     0.01   0.01   0.02
    14   1    -0.07  -0.11  -0.12     0.08   0.07   0.29     0.12   0.10   0.43
    15   1    -0.14  -0.11  -0.41    -0.03   0.07  -0.14     0.15   0.13   0.57
    16   1    -0.38  -0.23  -0.05     0.28   0.17   0.01    -0.06   0.07   0.03
    17   1    -0.01  -0.03  -0.07     0.25   0.13   0.06     0.12   0.10   0.07
    18   1    -0.09  -0.34   0.22     0.59  -0.21  -0.39    -0.14  -0.29   0.46
    19   1    -0.02  -0.04   0.06    -0.00   0.02   0.03     0.01   0.03   0.00
    20   1    -0.12  -0.07  -0.07    -0.06   0.00  -0.01    -0.04  -0.03  -0.02
    21   1    -0.08  -0.16  -0.09    -0.03  -0.04  -0.05    -0.02   0.01  -0.04
    22   1     0.04  -0.02  -0.02     0.00   0.00   0.00     0.04  -0.04  -0.03
    23   1    -0.06   0.00   0.10    -0.02  -0.00   0.07    -0.02   0.01   0.04
    24   1    -0.07  -0.05   0.07    -0.04  -0.04   0.05     0.01  -0.06   0.01
    25   1     0.01  -0.06   0.11     0.00  -0.09   0.08    -0.00  -0.02   0.00
    26   1     0.08  -0.01  -0.12     0.07  -0.07  -0.04     0.03  -0.03  -0.02
    27   1     0.11   0.04  -0.03     0.08   0.04  -0.01     0.03   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1349.2422              1408.2033              1412.9959
 Red. masses --      2.3322                 1.2362                 1.2841
 Frc consts  --      2.5015                 1.4444                 1.5106
 IR Inten    --      6.6386                 7.3017                 6.3225
 RamAct Fr= 1--     11.1236                 0.0876                 0.6721
  Dep-P Fr= 1--      0.4127                 0.5194                 0.2101
  Dep-U Fr= 1--      0.5842                 0.6837                 0.3473
 Alpha2 Fr= 1--      0.0787                 0.0004                 0.0089
 Beta2  Fr= 1--      1.0831                 0.0100                 0.0389
 AlphaG Fr= 1--      0.0122                -0.0045                -0.0048
 Gamma2 Fr= 1--      0.9031                 0.0410                -0.1660
 Delta2 Fr= 1--     -0.5864                -0.0034                 0.0207
 Raman1 Fr= 1--      44.495                  0.350                  2.688
 ROA1   Fr= 1--      67.931                  3.831                -15.273
 CID1   Fr= 1--       1.527                 10.933                 -5.681
 Raman2 Fr= 1--      12.998                  0.120                  0.467
 ROA2   Fr= 1--      26.365                  1.011                 -4.149
 CID2   Fr= 1--       2.028                  8.444                 -8.888
 Raman3 Fr= 1--      25.996                  0.240                  0.934
 ROA3   Fr= 1--      67.931                  3.831                -15.273
 CID3   Fr= 1--       2.613                 15.991                -16.360
 RC180  Fr= 1--       0.168                  0.367                 -0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.08     0.02   0.00  -0.02     0.00  -0.01   0.00
     2   6     0.02   0.20   0.15    -0.01   0.00   0.01     0.00   0.04   0.02
     3   6    -0.05  -0.14  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.06   0.03    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6     0.02  -0.08  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.01   0.03   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
     8   6    -0.01  -0.04  -0.05     0.00  -0.00  -0.01    -0.02  -0.13  -0.06
     9   8    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    10   6     0.03   0.01   0.02    -0.10   0.02   0.04    -0.02   0.01   0.00
    11   6     0.02   0.01   0.03    -0.00  -0.05   0.08    -0.00   0.02  -0.03
    12   1     0.26   0.61  -0.10     0.03   0.01   0.01     0.00   0.01  -0.01
    13   1     0.15   0.43  -0.04    -0.02   0.01   0.04    -0.00  -0.00  -0.00
    14   1    -0.01   0.02  -0.01    -0.03  -0.02   0.02    -0.01  -0.01  -0.01
    15   1     0.05   0.03   0.06     0.01  -0.03  -0.01    -0.00  -0.01  -0.01
    16   1     0.06  -0.04   0.00    -0.02   0.04   0.00     0.00  -0.03  -0.01
    17   1    -0.05  -0.01  -0.02    -0.03  -0.00   0.06     0.00  -0.00  -0.02
    18   1    -0.10   0.23  -0.10     0.01   0.01  -0.02    -0.00  -0.01  -0.00
    19   1    -0.05  -0.16   0.02    -0.03   0.01   0.04    -0.14   0.54   0.12
    20   1    -0.01  -0.04  -0.04    -0.02   0.01   0.00     0.08   0.34   0.37
    21   1    -0.02  -0.18   0.02     0.03   0.01   0.02     0.32   0.43   0.13
    22   1    -0.12  -0.05  -0.03     0.37  -0.16   0.01     0.06  -0.02  -0.00
    23   1    -0.12   0.01  -0.07     0.42   0.09  -0.10     0.09   0.02   0.01
    24   1     0.03   0.02   0.00     0.29  -0.18  -0.29     0.06  -0.07  -0.05
    25   1    -0.03  -0.05  -0.07    -0.13   0.19  -0.25     0.04  -0.06   0.08
    26   1     0.01  -0.01   0.04     0.11   0.29  -0.22    -0.02  -0.14   0.07
    27   1    -0.08   0.01  -0.07     0.01   0.05  -0.37     0.03  -0.01   0.14
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1428.1950              1457.4142              1482.2448
 Red. masses --      1.2084                 1.0864                 1.0520
 Frc consts  --      1.4522                 1.3596                 1.3618
 IR Inten    --     11.9509                15.3641                 5.4651
 RamAct Fr= 1--      0.6903                11.8836                 3.2995
  Dep-P Fr= 1--      0.2463                 0.6634                 0.7498
  Dep-U Fr= 1--      0.3952                 0.7976                 0.8570
 Alpha2 Fr= 1--      0.0083                 0.0183                 0.0000
 Beta2  Fr= 1--      0.0455                 1.5797                 0.4713
 AlphaG Fr= 1--     -0.0256                 0.0401                -0.0008
 Gamma2 Fr= 1--      0.1435                 2.0982                 1.2454
 Delta2 Fr= 1--      0.1821                 1.4248                 0.4062
 Raman1 Fr= 1--       2.761                 47.534                 13.198
 ROA1   Fr= 1--      19.606                247.023                132.554
 CID1   Fr= 1--       7.100                  5.197                 10.043
 Raman2 Fr= 1--       0.546                 18.957                  5.655
 ROA2   Fr= 1--       1.988                 38.959                 26.639
 CID2   Fr= 1--       3.643                  2.055                  4.710
 Raman3 Fr= 1--       1.091                 37.914                 11.311
 ROA3   Fr= 1--      19.606                247.023                132.554
 CID3   Fr= 1--      17.965                  6.515                 11.719
 RC180  Fr= 1--      -0.210                  0.595                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.01  -0.01   0.01
     2   6     0.00  -0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.01
     3   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
     4   6     0.00   0.01  -0.00     0.01   0.01   0.00    -0.00  -0.01   0.00
     5   6     0.01  -0.01   0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.00  -0.00  -0.00
     8   6     0.00   0.04   0.01    -0.00   0.00  -0.00    -0.00  -0.02   0.02
     9   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.08   0.02   0.03    -0.00   0.00   0.01    -0.01  -0.03   0.01
    11   6    -0.00   0.05  -0.08    -0.01   0.00  -0.02    -0.01   0.02   0.01
    12   1     0.04   0.01   0.03     0.02   0.01   0.01     0.19  -0.03   0.16
    13   1    -0.01   0.04   0.03    -0.01   0.01   0.01    -0.11   0.08   0.23
    14   1    -0.02  -0.01  -0.01    -0.10  -0.06   0.02     0.08   0.04  -0.04
    15   1     0.01  -0.02   0.01     0.03  -0.11  -0.01    -0.03   0.09  -0.01
    16   1     0.08  -0.10  -0.00    -0.36   0.54   0.03    -0.02   0.03   0.00
    17   1     0.01  -0.01  -0.13    -0.18   0.02   0.64    -0.01   0.00   0.03
    18   1    -0.02   0.04  -0.01    -0.02   0.02  -0.02     0.00   0.01  -0.01
    19   1     0.04  -0.14  -0.04     0.01  -0.01  -0.01     0.18   0.01  -0.25
    20   1     0.02  -0.11  -0.11     0.02  -0.01  -0.01     0.04   0.15   0.16
    21   1    -0.09  -0.15  -0.01    -0.01  -0.03  -0.00    -0.17   0.05  -0.25
    22   1     0.30  -0.12   0.01     0.01  -0.06  -0.02     0.29   0.18   0.16
    23   1     0.35   0.07  -0.06     0.01   0.01  -0.07    -0.25  -0.05  -0.02
    24   1     0.24  -0.17  -0.23    -0.00   0.01   0.00     0.06   0.36  -0.25
    25   1     0.13  -0.22   0.26     0.06   0.10   0.11    -0.12  -0.10  -0.23
    26   1    -0.09  -0.34   0.22    -0.06  -0.14   0.11     0.24  -0.15  -0.16
    27   1     0.02  -0.05   0.42     0.16   0.02   0.05     0.06  -0.01   0.16
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1485.3824              1490.0110              1495.2085
 Red. masses --      1.0474                 1.0504                 1.0555
 Frc consts  --      1.3616                 1.3740                 1.3903
 IR Inten    --      7.7794                 9.4446                 4.3587
 RamAct Fr= 1--     14.2153                 6.7091                 1.7086
  Dep-P Fr= 1--      0.7384                 0.7032                 0.7496
  Dep-U Fr= 1--      0.8495                 0.8258                 0.8569
 Alpha2 Fr= 1--      0.0028                 0.0055                 0.0000
 Beta2  Fr= 1--      2.0126                 0.9233                 0.2440
 AlphaG Fr= 1--      0.0072                 0.0082                 0.0003
 Gamma2 Fr= 1--     -3.8859                 1.3753                -2.7674
 Delta2 Fr= 1--     -1.3087                 0.2915                -1.1525
 Raman1 Fr= 1--      56.861                 26.836                  6.834
 ROA1   Fr= 1--    -414.925                141.353               -302.554
 CID1   Fr= 1--      -7.297                  5.267                -44.271
 Raman2 Fr= 1--      24.151                 11.080                  2.928
 ROA2   Fr= 1--     -82.792                 30.675                -57.199
 CID2   Fr= 1--      -3.428                  2.768                -19.535
 Raman3 Fr= 1--      48.303                 22.160                  5.856
 ROA3   Fr= 1--    -414.925                141.353               -302.554
 CID3   Fr= 1--      -8.590                  6.379                -51.665
 RC180  Fr= 1--       0.699                  0.652                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.02
     2   6    -0.00   0.00  -0.02    -0.03   0.00  -0.01    -0.02   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.00     0.00   0.01  -0.01    -0.01  -0.03   0.01
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.02  -0.03    -0.04   0.01  -0.00    -0.02  -0.00   0.01
     9   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00  -0.02  -0.02     0.01   0.00   0.02    -0.00   0.01  -0.03
    11   6     0.01   0.02   0.01    -0.02  -0.00   0.01     0.01  -0.01  -0.01
    12   1     0.04  -0.01   0.05    -0.03   0.02  -0.04     0.17  -0.01   0.14
    13   1    -0.03   0.01   0.06     0.01  -0.04  -0.03    -0.10   0.05   0.20
    14   1     0.08   0.04  -0.04    -0.08  -0.04   0.04     0.22   0.11  -0.10
    15   1    -0.02   0.09  -0.01     0.03  -0.08   0.02    -0.07   0.25  -0.04
    16   1    -0.07   0.10   0.01     0.05  -0.07  -0.00    -0.03   0.04   0.00
    17   1    -0.03   0.01   0.11     0.03   0.00  -0.07    -0.02  -0.00   0.05
    18   1    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    19   1    -0.24   0.07   0.33     0.06   0.35  -0.13     0.17   0.19  -0.27
    20   1     0.05  -0.24  -0.23     0.56  -0.15  -0.04     0.35   0.03   0.10
    21   1     0.24  -0.14   0.40     0.02  -0.38   0.26    -0.13  -0.18  -0.05
    22   1     0.04   0.30   0.16     0.02  -0.18  -0.09    -0.17   0.17   0.05
    23   1    -0.05  -0.06   0.29    -0.05   0.03  -0.24     0.16  -0.03   0.34
    24   1     0.10   0.02  -0.14    -0.09   0.10   0.07     0.08  -0.29   0.02
    25   1    -0.08  -0.25  -0.15    -0.07   0.13  -0.13     0.09   0.05   0.16
    26   1     0.15  -0.00  -0.13     0.14  -0.16  -0.07    -0.18   0.15   0.11
    27   1    -0.17  -0.05   0.13     0.23   0.04   0.05    -0.09  -0.00  -0.15
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1499.2667              1508.7804              1513.7532
 Red. masses --      1.0582                 1.0662                 1.0676
 Frc consts  --      1.4015                 1.4300                 1.4414
 IR Inten    --      6.5751                 0.5007                 7.2308
 RamAct Fr= 1--      3.8345                 6.6810                 3.0793
  Dep-P Fr= 1--      0.7410                 0.7414                 0.7450
  Dep-U Fr= 1--      0.8512                 0.8515                 0.8539
 Alpha2 Fr= 1--      0.0006                 0.0010                 0.0003
 Beta2  Fr= 1--      0.5440                 0.9481                 0.4382
 AlphaG Fr= 1--      0.0113                -0.0058                 0.0047
 Gamma2 Fr= 1--     -0.7421                 2.6400                 0.9049
 Delta2 Fr= 1--     -0.8807                 1.5424                 0.3305
 Raman1 Fr= 1--      15.338                 26.724                 12.317
 ROA1   Fr= 1--     -99.423                302.796                 97.447
 CID1   Fr= 1--      -6.482                 11.330                  7.912
 Raman2 Fr= 1--       6.528                 11.378                  5.259
 ROA2   Fr= 1--     -10.765                 51.021                 19.074
 CID2   Fr= 1--      -1.649                  4.484                  3.627
 Raman3 Fr= 1--      13.056                 22.755                 10.517
 ROA3   Fr= 1--     -99.423                302.796                 97.447
 CID3   Fr= 1--      -7.615                 13.307                  9.265
 RC180  Fr= 1--       0.702                  0.703                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.01     0.02   0.02   0.02
     2   6     0.00  -0.00  -0.02     0.01   0.00  -0.00    -0.00  -0.01  -0.01
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00    -0.01  -0.00  -0.05
     4   6    -0.01  -0.02  -0.00    -0.01  -0.02   0.01     0.00   0.01  -0.01
     5   6    -0.00   0.00   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01   0.02     0.01   0.01  -0.01     0.01   0.02   0.01
    11   6    -0.01  -0.02  -0.02    -0.04  -0.00   0.02     0.01   0.02   0.01
    12   1     0.24  -0.07   0.23     0.02  -0.01   0.03     0.31  -0.08   0.29
    13   1    -0.14   0.11   0.30    -0.00   0.02   0.02    -0.18   0.12   0.38
    14   1     0.14   0.08  -0.05     0.20   0.11  -0.10    -0.07  -0.03   0.03
    15   1    -0.05   0.17  -0.02    -0.07   0.23  -0.04     0.02  -0.08   0.01
    16   1     0.05  -0.07  -0.00     0.01  -0.04  -0.01    -0.02   0.03   0.00
    17   1     0.02  -0.00  -0.07     0.00  -0.01  -0.02    -0.01  -0.00   0.03
    18   1     0.01   0.00  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
    19   1    -0.15  -0.02   0.22    -0.04  -0.12   0.08    -0.02  -0.02   0.04
    20   1    -0.09  -0.10  -0.11    -0.17  -0.00  -0.04    -0.05   0.01  -0.00
    21   1     0.14   0.02   0.17     0.02   0.08  -0.03     0.02   0.04   0.00
    22   1     0.16  -0.08  -0.01    -0.22  -0.00  -0.05    -0.21  -0.31  -0.20
    23   1    -0.18   0.01  -0.21     0.18   0.00   0.14     0.14   0.06  -0.22
    24   1    -0.04   0.25  -0.06     0.01  -0.27   0.12    -0.15  -0.16   0.26
    25   1     0.13   0.32   0.24    -0.12   0.29  -0.24    -0.07  -0.29  -0.12
    26   1    -0.23   0.01   0.20     0.24  -0.37  -0.08     0.13   0.07  -0.14
    27   1     0.21   0.07  -0.19     0.48   0.07   0.15    -0.24  -0.06   0.13
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1523.0998              1814.7888              3033.3882
 Red. masses --      1.0803                12.5620                 1.0388
 Frc consts  --      1.4765                24.3760                 5.6318
 IR Inten    --      7.4158               370.7922                18.0020
 RamAct Fr= 1--      7.5703                37.2799                 9.7096
  Dep-P Fr= 1--      0.5552                 0.6247                 0.7296
  Dep-U Fr= 1--      0.7140                 0.7690                 0.8437
 Alpha2 Fr= 1--      0.0281                 0.0852                 0.0034
 Beta2  Fr= 1--      0.9009                 4.7779                 1.3653
 AlphaG Fr= 1--      0.0178                 0.1260                -0.0281
 Gamma2 Fr= 1--     -2.0521                 1.5545                 2.1877
 Delta2 Fr= 1--     -1.0107                 2.0697                 0.8451
 Raman1 Fr= 1--      30.281                149.119                 38.838
 ROA1   Fr= 1--    -229.347                215.461                237.061
 CID1   Fr= 1--      -7.574                  1.445                  6.104
 Raman2 Fr= 1--      10.811                 57.335                 16.384
 ROA2   Fr= 1--     -41.165                 20.751                 45.744
 CID2   Fr= 1--      -3.808                  0.362                  2.792
 Raman3 Fr= 1--      21.622                114.670                 32.767
 ROA3   Fr= 1--    -229.347                215.461                237.061
 CID3   Fr= 1--     -10.607                  1.879                  7.235
 RC180  Fr= 1--       0.428                  0.538                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.03    -0.01  -0.02   0.01    -0.00   0.00   0.00
     4   6    -0.02  -0.05   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.01  -0.01    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.77   0.26  -0.01     0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.01    -0.05  -0.01   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     9   8     0.00   0.00   0.00    -0.50  -0.17   0.01     0.00  -0.00   0.00
    10   6    -0.01   0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.00
    11   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.03
    12   1    -0.17   0.04  -0.15    -0.03   0.06  -0.04     0.01  -0.01  -0.01
    13   1     0.09  -0.07  -0.20     0.04   0.01  -0.03    -0.01   0.00  -0.01
    14   1     0.43   0.22  -0.21     0.01   0.00   0.01    -0.01   0.01  -0.00
    15   1    -0.16   0.50  -0.09    -0.01   0.02  -0.01     0.01   0.00  -0.00
    16   1    -0.07   0.08   0.00     0.05   0.07   0.02     0.00   0.01  -0.04
    17   1    -0.04  -0.00   0.10     0.08   0.06   0.03     0.01  -0.01   0.00
    18   1    -0.01  -0.02   0.01    -0.03  -0.02  -0.02     0.00   0.00   0.00
    19   1     0.01   0.01  -0.01     0.04  -0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.01   0.00   0.00     0.03  -0.01  -0.03     0.00   0.00  -0.00
    21   1    -0.00  -0.01  -0.00    -0.06  -0.10  -0.03     0.02  -0.01  -0.01
    22   1     0.09  -0.27  -0.12    -0.00   0.00   0.00    -0.02  -0.11   0.21
    23   1     0.00   0.06  -0.32     0.00   0.00   0.00    -0.04   0.40   0.06
    24   1    -0.07   0.10   0.05     0.01  -0.00  -0.01    -0.36  -0.16  -0.32
    25   1    -0.01  -0.19  -0.01     0.00   0.03  -0.00    -0.28   0.02   0.12
    26   1     0.02   0.08  -0.05    -0.01  -0.02   0.02     0.34   0.17   0.33
    27   1    -0.19  -0.04   0.05     0.02   0.00   0.00     0.08  -0.39  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3036.6864              3039.8926              3056.3578
 Red. masses --      1.0366                 1.0382                 1.0594
 Frc consts  --      5.6322                 5.6524                 5.8307
 IR Inten    --     28.2371                54.1337                37.0176
 RamAct Fr= 1--     13.8378               645.1218               123.7184
  Dep-P Fr= 1--      0.7326                 0.0136                 0.3373
  Dep-U Fr= 1--      0.8456                 0.0268                 0.5045
 Alpha2 Fr= 1--      0.0041                13.8876                 1.1311
 Beta2  Fr= 1--      1.9503                 2.8831                10.4026
 AlphaG Fr= 1--      0.0201                 0.7002                -0.7894
 Gamma2 Fr= 1--      2.8697                 1.6153                 6.8998
 Delta2 Fr= 1--      2.0054                -1.9363                -7.7129
 Raman1 Fr= 1--      55.351               2580.487                494.874
 ROA1   Fr= 1--     339.670                 93.105                415.566
 CID1   Fr= 1--       6.137                  0.036                  0.840
 Raman2 Fr= 1--      23.404                 34.597                124.831
 ROA2   Fr= 1--      52.830                 54.257                227.298
 CID2   Fr= 1--       2.257                  1.568                  1.821
 Raman3 Fr= 1--      46.807                 69.194                249.662
 ROA3   Fr= 1--     339.670                 93.105                415.566
 CID3   Fr= 1--       7.257                  1.346                  1.665
 RC180  Fr= 1--       0.691                 -0.946                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.01  -0.00  -0.06
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.03   0.01
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.04   0.02    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6     0.02  -0.01   0.00     0.03  -0.01   0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.02     0.01  -0.01   0.02    -0.00   0.00   0.00
    12   1    -0.01   0.01   0.01     0.04  -0.03  -0.05    -0.38   0.22   0.41
    13   1     0.02  -0.00   0.01    -0.05   0.01  -0.02     0.53  -0.16   0.26
    14   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.22   0.34  -0.03
    15   1     0.01   0.00  -0.00     0.02   0.00  -0.01     0.29   0.05  -0.10
    16   1    -0.00  -0.00   0.02    -0.00  -0.01   0.05    -0.00   0.00   0.00
    17   1    -0.01   0.01  -0.00    -0.02   0.03  -0.01     0.01  -0.03   0.01
    18   1     0.01   0.00   0.01     0.02   0.01   0.02    -0.03  -0.02  -0.02
    19   1    -0.35   0.00  -0.23     0.27  -0.00   0.18     0.03   0.00   0.02
    20   1    -0.06  -0.28   0.34     0.04   0.21  -0.25     0.01   0.03  -0.03
    21   1     0.40  -0.15  -0.28    -0.30   0.11   0.21    -0.03   0.01   0.02
    22   1    -0.02  -0.07   0.12    -0.02  -0.10   0.18    -0.00  -0.00   0.00
    23   1    -0.02   0.25   0.04    -0.03   0.32   0.05    -0.00   0.02   0.00
    24   1    -0.21  -0.09  -0.19    -0.30  -0.13  -0.27    -0.02  -0.01  -0.01
    25   1     0.17  -0.01  -0.08     0.23  -0.02  -0.10     0.01  -0.00  -0.00
    26   1    -0.20  -0.10  -0.19    -0.26  -0.13  -0.25    -0.01  -0.00  -0.01
    27   1    -0.05   0.24   0.05    -0.06   0.28   0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3063.2246              3065.3004              3084.2697
 Red. masses --      1.0611                 1.0624                 1.1007
 Frc consts  --      5.8665                 5.8815                 6.1693
 IR Inten    --     23.8081                36.5738                 6.0901
 RamAct Fr= 1--     66.9907               472.1844                25.8004
  Dep-P Fr= 1--      0.2932                 0.0552                 0.7416
  Dep-U Fr= 1--      0.4535                 0.1046                 0.8516
 Alpha2 Fr= 1--      0.7011                 9.2130                 0.0037
 Beta2  Fr= 1--      5.0631                 8.2288                 3.6621
 AlphaG Fr= 1--      0.2449                -1.4552                -0.0106
 Gamma2 Fr= 1--      0.9498               -17.4162                 2.9846
 Delta2 Fr= 1--     -2.6057                -6.4625                -1.5675
 Raman1 Fr= 1--     267.963               1888.737                103.202
 ROA1   Fr= 1--       7.795              -1878.759                236.359
 CID1   Fr= 1--       0.029                 -0.995                  2.290
 Raman2 Fr= 1--      60.757                 98.745                 43.945
 ROA2   Fr= 1--      43.641               -366.290                 84.170
 CID2   Fr= 1--       0.718                 -3.709                  1.915
 Raman3 Fr= 1--     121.515                197.490                 87.890
 ROA3   Fr= 1--       7.795              -1878.759                236.359
 CID3   Fr= 1--       0.064                 -9.513                  2.689
 RC180  Fr= 1--      -0.093                 -0.791                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.03    -0.00   0.00   0.00
     4   6    -0.00   0.02  -0.01    -0.01  -0.05   0.02     0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.02   0.01   0.01    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.03  -0.04  -0.04     0.01  -0.01  -0.02     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00   0.01
     9   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03  -0.06  -0.04
    11   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.04   0.02
    12   1    -0.10   0.06   0.11     0.23  -0.13  -0.24     0.01  -0.00  -0.01
    13   1     0.11  -0.03   0.05    -0.25   0.08  -0.12     0.01  -0.00   0.00
    14   1     0.15  -0.23   0.02    -0.32   0.49  -0.04     0.00  -0.00   0.00
    15   1    -0.15  -0.02   0.05     0.45   0.07  -0.15    -0.02  -0.00   0.00
    16   1    -0.05  -0.12   0.58    -0.02  -0.05   0.24    -0.00  -0.00   0.01
    17   1    -0.34   0.59  -0.16    -0.11   0.19  -0.05    -0.00   0.00  -0.00
    18   1    -0.06  -0.05  -0.07    -0.18  -0.14  -0.18     0.01   0.01   0.01
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.01     0.02  -0.00   0.02
    20   1     0.00   0.00  -0.00    -0.00  -0.02   0.02     0.01   0.06  -0.07
    21   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01     0.07  -0.03  -0.05
    22   1     0.00   0.01  -0.01    -0.01  -0.01   0.03    -0.01  -0.05   0.05
    23   1    -0.00   0.01   0.00     0.00  -0.03  -0.01    -0.08   0.65   0.09
    24   1    -0.01  -0.00  -0.01     0.05   0.02   0.04     0.40   0.16   0.35
    25   1     0.04  -0.00  -0.02     0.02  -0.00  -0.01    -0.02   0.01   0.01
    26   1     0.05   0.02   0.05     0.03   0.02   0.03    -0.21  -0.10  -0.20
    27   1     0.01  -0.04  -0.01     0.00  -0.02  -0.00     0.08  -0.35  -0.07
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3084.7627              3088.3919              3090.8513
 Red. masses --      1.1019                 1.0906                 1.0999
 Frc consts  --      6.1777                 6.1291                 6.1912
 IR Inten    --     10.0793                44.0750                62.7907
 RamAct Fr= 1--    145.1856               387.5237               184.5574
  Dep-P Fr= 1--      0.2351                 0.1352                 0.7132
  Dep-U Fr= 1--      0.3808                 0.2382                 0.8326
 Alpha2 Fr= 1--      1.7932                 6.2184                 0.1176
 Beta2  Fr= 1--      9.2133                15.3852                25.6093
 AlphaG Fr= 1--     -1.3830                 3.0713                -0.2121
 Gamma2 Fr= 1--    -26.7136                57.6776                -9.1924
 Delta2 Fr= 1--    -24.0399                27.5368                -1.9883
 Raman1 Fr= 1--     580.742               1550.095                738.229
 ROA1   Fr= 1--   -3333.781               6418.228               -946.094
 CID1   Fr= 1--      -5.741                  4.141                 -1.282
 Raman2 Fr= 1--     110.559                184.623                307.311
 ROA2   Fr= 1--    -448.807               1163.968               -204.711
 CID2   Fr= 1--      -4.059                  6.305                 -0.666
 Raman3 Fr= 1--     221.119                369.245                614.623
 ROA3   Fr= 1--   -3333.781               6418.228               -946.094
 CID3   Fr= 1--     -15.077                 17.382                 -1.539
 RC180  Fr= 1--      -0.238                 -0.524                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.06   0.02   0.01     0.04  -0.01  -0.00    -0.00   0.00  -0.00
     4   6     0.05  -0.02  -0.01    -0.02  -0.01   0.01     0.00   0.00  -0.00
     5   6    -0.02  -0.02  -0.02    -0.04  -0.03  -0.04    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.03  -0.02
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.03  -0.07  -0.04
    12   1     0.30  -0.17  -0.35    -0.15   0.09   0.17     0.01  -0.01  -0.01
    13   1     0.38  -0.12   0.21    -0.30   0.09  -0.16     0.03  -0.01   0.02
    14   1    -0.21   0.34  -0.04    -0.02   0.03  -0.00    -0.00   0.00   0.00
    15   1    -0.36  -0.07   0.13     0.30   0.06  -0.11    -0.02  -0.00   0.01
    16   1    -0.01  -0.01   0.07    -0.00  -0.00   0.01    -0.00  -0.00   0.02
    17   1    -0.06   0.10  -0.03    -0.10   0.17  -0.04     0.02  -0.03   0.01
    18   1     0.29   0.22   0.28     0.51   0.39   0.50     0.02   0.02   0.02
    19   1    -0.03   0.00  -0.02    -0.01  -0.00  -0.00     0.08   0.00   0.05
    20   1    -0.00  -0.02   0.02     0.00   0.01  -0.01    -0.01  -0.05   0.06
    21   1    -0.02   0.01   0.02     0.03  -0.01  -0.02    -0.02   0.01   0.01
    22   1     0.00   0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.03   0.04
    23   1     0.00  -0.04  -0.00     0.00  -0.03  -0.00    -0.05   0.36   0.05
    24   1    -0.01  -0.00  -0.01     0.02   0.01   0.01     0.22   0.09   0.19
    25   1    -0.00   0.00   0.00    -0.02   0.00   0.01     0.07  -0.02  -0.04
    26   1    -0.00  -0.00  -0.00     0.02   0.01   0.02     0.38   0.17   0.37
    27   1     0.01  -0.04  -0.01     0.00   0.00   0.00    -0.14   0.62   0.12
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3098.5939              3100.3008              3101.6156
 Red. masses --      1.1037                 1.1018                 1.1011
 Frc consts  --      6.2436                 6.2395                 6.2412
 IR Inten    --      2.2189                17.2676                23.6363
 RamAct Fr= 1--     75.3037               132.6247               119.5220
  Dep-P Fr= 1--      0.7441                 0.7011                 0.7500
  Dep-U Fr= 1--      0.8533                 0.8243                 0.8571
 Alpha2 Fr= 1--      0.0076                 0.1130                 0.0001
 Beta2  Fr= 1--     10.7090                18.2197                17.0742
 AlphaG Fr= 1--     -0.0712                -0.1742                -0.0054
 Gamma2 Fr= 1--    -41.8261               -29.4779                23.4994
 Delta2 Fr= 1--     -2.6063                -7.4475                12.9354
 Raman1 Fr= 1--     301.215                530.499                478.088
 ROA1   Fr= 1--   -4098.706              -3068.196               2669.877
 CID1   Fr= 1--     -13.607                 -5.784                  5.584
 Raman2 Fr= 1--     128.508                218.636                204.890
 ROA2   Fr= 1--    -982.976               -647.888                460.502
 CID2   Fr= 1--      -7.649                 -2.963                  2.248
 Raman3 Fr= 1--     257.015                437.273                409.780
 ROA3   Fr= 1--   -4098.706              -3068.196               2669.877
 CID3   Fr= 1--     -15.947                 -7.017                  6.515
 RC180  Fr= 1--       0.707                  0.649                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
     4   6     0.03  -0.01  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.02   0.04  -0.06     0.00  -0.01   0.02    -0.00   0.01  -0.01
     8   6    -0.01  -0.01   0.02    -0.08  -0.00   0.03    -0.03   0.04  -0.07
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00  -0.00   0.00
    11   6    -0.03   0.01   0.01     0.01  -0.01  -0.00     0.00   0.01   0.01
    12   1    -0.10   0.06   0.12     0.01  -0.00  -0.01    -0.05   0.03   0.05
    13   1    -0.17   0.05  -0.09     0.01  -0.00   0.00    -0.06   0.02  -0.03
    14   1    -0.09   0.15  -0.01    -0.03   0.05  -0.01    -0.04   0.06  -0.01
    15   1    -0.22  -0.05   0.08    -0.07  -0.01   0.02    -0.07  -0.01   0.03
    16   1    -0.06  -0.10   0.57     0.02   0.03  -0.16    -0.01  -0.02   0.09
    17   1     0.26  -0.44   0.10    -0.07   0.12  -0.03     0.03  -0.06   0.01
    18   1     0.05   0.04   0.05    -0.03  -0.02  -0.02     0.01   0.01   0.01
    19   1    -0.01  -0.00  -0.00     0.40   0.00   0.29     0.56   0.01   0.36
    20   1     0.02   0.13  -0.15     0.03   0.25  -0.28    -0.10  -0.46   0.52
    21   1     0.13  -0.05  -0.09     0.56  -0.22  -0.41    -0.05   0.02   0.02
    22   1     0.01   0.04  -0.07     0.00   0.02  -0.02     0.00   0.02  -0.03
    23   1     0.00  -0.01  -0.00     0.01  -0.07  -0.01     0.00  -0.00   0.00
    24   1    -0.03  -0.01  -0.02    -0.04  -0.02  -0.03    -0.02  -0.01  -0.01
    25   1     0.31  -0.02  -0.14    -0.08   0.00   0.04    -0.00   0.00   0.00
    26   1     0.08   0.05   0.09     0.00  -0.00  -0.00    -0.05  -0.02  -0.05
    27   1     0.02  -0.12  -0.02    -0.02   0.09   0.02     0.02  -0.11  -0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3104.3991              3111.9872              3126.8945
 Red. masses --      1.1045                 1.0987                 1.0961
 Frc consts  --      6.2714                 6.2690                 6.3141
 IR Inten    --     96.6756                26.4896                35.1536
 RamAct Fr= 1--    147.6290               108.4115               104.1111
  Dep-P Fr= 1--      0.7223                 0.6473                 0.5530
  Dep-U Fr= 1--      0.8388                 0.7859                 0.7121
 Alpha2 Fr= 1--      0.0703                 0.2003                 0.3914
 Beta2  Fr= 1--     20.6380                14.1997                12.3571
 AlphaG Fr= 1--     -0.2048                -0.3598                -0.2660
 Gamma2 Fr= 1--    -11.3221                46.8377                -5.5469
 Delta2 Fr= 1--     -6.5633                15.0201                 0.2952
 Raman1 Fr= 1--     590.516                433.646                416.444
 ROA1   Fr= 1--   -1296.943               4977.064               -523.053
 CID1   Fr= 1--      -2.196                 11.477                 -1.256
 Raman2 Fr= 1--     247.656                170.397                148.285
 ROA2   Fr= 1--    -219.224               1003.944               -135.486
 CID2   Fr= 1--      -0.885                  5.892                 -0.914
 Raman3 Fr= 1--     495.311                340.793                296.570
 ROA3   Fr= 1--   -1296.943               4977.064               -523.053
 CID3   Fr= 1--      -2.618                 14.604                 -1.764
 RC180  Fr= 1--       0.678                  0.572                  0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.05   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     4   6    -0.06   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.01  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.01   0.02  -0.02     0.01  -0.02   0.03    -0.00   0.00  -0.00
     8   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.05  -0.07
    11   6    -0.01   0.01   0.00    -0.08   0.02   0.02    -0.00   0.00   0.00
    12   1     0.22  -0.13  -0.26    -0.00   0.00   0.00    -0.06   0.03   0.07
    13   1     0.32  -0.10   0.17    -0.00   0.00  -0.00    -0.04   0.01  -0.02
    14   1     0.23  -0.38   0.04    -0.01   0.01  -0.00    -0.03   0.05  -0.01
    15   1     0.50   0.10  -0.18    -0.01  -0.00   0.00    -0.14  -0.03   0.05
    16   1    -0.02  -0.04   0.23     0.04   0.07  -0.37    -0.00   0.00   0.00
    17   1     0.12  -0.20   0.04    -0.11   0.19  -0.04     0.00  -0.00   0.00
    18   1     0.08   0.06   0.08    -0.02  -0.01  -0.02    -0.01  -0.00  -0.01
    19   1     0.11   0.00   0.08     0.02   0.00   0.01     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.10  -0.04  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    22   1    -0.02  -0.07   0.13     0.00   0.01  -0.02    -0.12  -0.43   0.80
    23   1     0.01  -0.08  -0.02     0.00  -0.00  -0.00     0.03  -0.25  -0.06
    24   1     0.02   0.01   0.01    -0.00  -0.00  -0.00     0.14   0.07   0.11
    25   1     0.14  -0.01  -0.07     0.73  -0.05  -0.34     0.01  -0.00  -0.01
    26   1     0.03   0.02   0.03     0.15   0.09   0.17    -0.00  -0.00  -0.00
    27   1     0.01  -0.08  -0.01     0.04  -0.27  -0.05     0.00  -0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1242.481711522.918841641.96815
           X            0.99901  -0.04146   0.01640
           Y            0.04144   0.99914   0.00175
           Z           -0.01646  -0.00107   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06971     0.05687     0.05275
 Rotational constants (GHZ):           1.45253     1.18505     1.09913
 Zero-point vibrational energy     631546.6 (Joules/Mol)
                                  150.94325 (Kcal/Mol)
 Warning -- explicit consideration of  17 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    146.38   242.05   263.04   312.28   322.87
          (Kelvin)            347.11   376.82   417.03   431.87   552.77
                              568.13   597.18   684.58   753.93   807.08
                              828.25   888.87   937.72  1027.22  1085.94
                             1202.40  1241.23  1256.04  1332.11  1357.14
                             1363.39  1381.44  1389.85  1441.84  1484.34
                             1494.01  1518.13  1583.62  1609.68  1654.91
                             1687.11  1713.19  1751.95  1766.23  1794.35
                             1824.99  1833.66  1872.18  1910.95  1921.19
                             1941.26  2026.09  2032.99  2054.85  2096.89
                             2132.62  2137.13  2143.79  2151.27  2157.11
                             2170.80  2177.95  2191.40  2611.08  4364.37
                             4369.11  4373.73  4397.42  4407.30  4410.28
                             4437.58  4438.29  4443.51  4447.05  4458.19
                             4460.64  4462.53  4466.54  4477.46  4498.90
 
 Zero-point correction=                           0.240543 (Hartree/Particle)
 Thermal correction to Energy=                    0.251239
 Thermal correction to Enthalpy=                  0.252184
 Thermal correction to Gibbs Free Energy=         0.205823
 Sum of electronic and zero-point Energies=           -465.914461
 Sum of electronic and thermal Energies=              -465.903765
 Sum of electronic and thermal Enthalpies=            -465.902821
 Sum of electronic and thermal Free Energies=         -465.949181
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.655             43.632             97.574
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.520
 Vibrational            155.878             37.671             27.086
 Vibration     1          0.604              1.948              3.421
 Vibration     2          0.625              1.882              2.455
 Vibration     3          0.630              1.863              2.299
 Vibration     4          0.646              1.815              1.984
 Vibration     5          0.649              1.804              1.923
 Vibration     6          0.658              1.777              1.794
 Vibration     7          0.669              1.743              1.649
 Vibration     8          0.686              1.693              1.475
 Vibration     9          0.693              1.673              1.416
 Vibration    10          0.753              1.504              1.023
 Vibration    11          0.762              1.481              0.982
 Vibration    12          0.778              1.438              0.909
 Vibration    13          0.832              1.304              0.721
 Vibration    14          0.879              1.197              0.601
 Vibration    15          0.917              1.116              0.522
 Vibration    16          0.932              1.084              0.493
 Vibration    17          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.212911D-94        -94.671802       -217.989881
 Total V=0       0.934057D+16         15.970373         36.773144
 Vib (Bot)       0.457565-108       -108.339548       -249.461027
 Vib (Bot)    1  0.201649D+01          0.304597          0.701360
 Vib (Bot)    2  0.119856D+01          0.078660          0.181121
 Vib (Bot)    3  0.109754D+01          0.040422          0.093075
 Vib (Bot)    4  0.912464D+00         -0.039784         -0.091606
 Vib (Bot)    5  0.879800D+00         -0.055616         -0.128060
 Vib (Bot)    6  0.812300D+00         -0.090284         -0.207886
 Vib (Bot)    7  0.740920D+00         -0.130229         -0.299863
 Vib (Bot)    8  0.659827D+00         -0.180570         -0.415777
 Vib (Bot)    9  0.633508D+00         -0.198248         -0.456482
 Vib (Bot)   10  0.469219D+00         -0.328624         -0.756685
 Vib (Bot)   11  0.453069D+00         -0.343836         -0.791711
 Vib (Bot)   12  0.424639D+00         -0.371981         -0.856517
 Vib (Bot)   13  0.352763D+00         -0.452516         -1.041957
 Vib (Bot)   14  0.306900D+00         -0.513003         -1.181232
 Vib (Bot)   15  0.276816D+00         -0.557809         -1.284403
 Vib (Bot)   16  0.265855D+00         -0.575356         -1.324806
 Vib (Bot)   17  0.237264D+00         -0.624769         -1.438584
 Vib (V=0)       0.200737D+03          2.302628          5.301997
 Vib (V=0)    1  0.257756D+01          0.411208          0.946842
 Vib (V=0)    2  0.179867D+01          0.254952          0.587048
 Vib (V=0)    3  0.170607D+01          0.231997          0.534192
 Vib (V=0)    4  0.154048D+01          0.187655          0.432092
 Vib (V=0)    5  0.151195D+01          0.179538          0.413402
 Vib (V=0)    6  0.145385D+01          0.162520          0.374216
 Vib (V=0)    7  0.139385D+01          0.144215          0.332067
 Vib (V=0)    8  0.132787D+01          0.123156          0.283578
 Vib (V=0)    9  0.130705D+01          0.116293          0.267774
 Vib (V=0)   10  0.118569D+01          0.073970          0.170322
 Vib (V=0)   11  0.117474D+01          0.069941          0.161045
 Vib (V=0)   12  0.115599D+01          0.062953          0.144954
 Vib (V=0)   13  0.111192D+01          0.046072          0.106085
 Vib (V=0)   14  0.108668D+01          0.036100          0.083123
 Vib (V=0)   15  0.107151D+01          0.029997          0.069072
 Vib (V=0)   16  0.106628D+01          0.027873          0.064181
 Vib (V=0)   17  0.105344D+01          0.022609          0.052059
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.630974D+06          5.800011         13.355020
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000132137    0.000107781    0.000456449
      2        6          -0.000649984   -0.000237541    0.000399285
      3        6          -0.000179171    0.000461559   -0.000130274
      4        6          -0.000008395    0.000177804   -0.000082288
      5        6           0.000201059    0.000034308   -0.000115001
      6        6           0.005931799    0.002108491   -0.000114326
      7        6          -0.000539753   -0.000574327   -0.000419174
      8        6          -0.000060807   -0.000137907    0.000054552
      9        8          -0.004429783   -0.001370300    0.000136743
     10        6           0.000160185   -0.000032918   -0.000289414
     11        6           0.000094648   -0.000204672    0.000078501
     12        1          -0.000073908   -0.000140832    0.000231858
     13        1           0.000001774    0.000125068   -0.000033086
     14        1          -0.000094273   -0.000106842    0.000045895
     15        1          -0.000017152   -0.000187201    0.000024152
     16        1           0.000083731   -0.000100516    0.000046399
     17        1          -0.000005817    0.000051655   -0.000104016
     18        1          -0.000236958   -0.000152052   -0.000022289
     19        1           0.000066469    0.000009090   -0.000432010
     20        1           0.000260577   -0.000113771    0.000140010
     21        1          -0.000181838    0.000079095    0.000117253
     22        1          -0.000053924    0.000038512   -0.000008375
     23        1          -0.000083144   -0.000047106   -0.000000152
     24        1          -0.000205742    0.000071910    0.000104469
     25        1          -0.000000618    0.000041459    0.000137011
     26        1          -0.000096243    0.000113242   -0.000111928
     27        1          -0.000014869   -0.000013986   -0.000110244
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005931799 RMS     0.000889838
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.144011D+03  0.177724D+01 -0.698588D+00
      2   0.177724D+01  0.137621D+03  0.221212D+01
      3  -0.698588D+00  0.221212D+01  0.133703D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.331321D+00 -0.540194D+01  0.233857D+01
      2   0.258015D+01 -0.544342D+01  0.247490D+02
      3   0.596042D+01 -0.199154D+02  0.660626D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.259525D+02 -0.163701D+02  0.133500D+02
      2  -0.170455D+02  0.727135D+01 -0.757190D+01
      3  -0.890702D+01  0.909878D+01 -0.577812D+01
      4  -0.184840D+02  0.391349D+02 -0.181440D+02
      5   0.101442D+02 -0.184312D+02  0.502783D+02
      6  -0.947753D+01 -0.141289D+02 -0.304536D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.263185D+01  0.234236D+01  0.836941D+01  0.145130D+01  0.359817D+01
      2   0.234236D+01  0.440003D+01  0.593226D+00  0.359817D+01 -0.881318D+01
      3   0.836941D+01  0.593226D+00  0.434134D+01 -0.603547D-02 -0.247142D+01
                 6             7             8             9            10 
      1  -0.603547D-02  0.103204D+02  0.915638D+00  0.294402D+01 -0.663454D+01
      2  -0.247142D+01  0.915638D+00 -0.217418D+01  0.608201D+01 -0.297841D+01
      3   0.455440D+01  0.294402D+01  0.608201D+01 -0.156951D+01 -0.628712D+01
                11            12            13            14            15 
      1  -0.297841D+01 -0.628712D+01 -0.396207D+01  0.118689D+01  0.302001D+01
      2   0.147231D+01  0.318468D+01  0.118689D+01  0.109416D+01  0.436037D+01
      3   0.318468D+01 -0.921723D+00  0.302001D+01  0.436037D+01 -0.572366D+01
                16            17            18            19            20 
      1  -0.657604D+01  0.296567D+01 -0.292836D+01  0.330907D+01 -0.562200D+00
      2   0.296567D+01  0.312064D+01 -0.410273D+01 -0.562200D+00 -0.212410D+01
      3  -0.292836D+01 -0.410273D+01 -0.277210D+01  0.630317D+01 -0.381824D+01
                21            22            23            24            25 
      1   0.630317D+01  0.105321D+01 -0.399319D+00 -0.556114D+01  0.389429D+01
      2  -0.381824D+01 -0.399319D+00  0.608798D+00 -0.323032D+01 -0.347869D+01
      3  -0.108175D+01 -0.556114D+01 -0.323032D+01  0.336917D+01 -0.322717D+00
                26            27            28            29            30 
      1  -0.347869D+01 -0.322717D+00 -0.556005D+01 -0.356803D+01  0.352693D+01
      2  -0.478497D+01  0.224337D+01 -0.356803D+01  0.555892D+01  0.129717D+01
      3   0.224337D+01  0.385266D+01  0.352693D+01  0.129717D+01 -0.305985D+00
                31            32            33            34            35 
      1  -0.121936D+01  0.429126D+01  0.149757D+01  0.265080D+01  0.139236D+01
      2   0.429126D+01 -0.505145D+01  0.293889D+01  0.139236D+01  0.215564D+01
      3   0.149757D+01  0.293889D+01  0.291529D+01 -0.145943D+00  0.203700D+01
                36            37            38            39            40 
      1  -0.145943D+00  0.122222D+01 -0.203268D+01 -0.608855D+01  0.317752D+00
      2   0.203700D+01 -0.203268D+01 -0.451801D+01 -0.228076D+01 -0.643756D+01
      3  -0.378690D+01 -0.608855D+01 -0.228076D+01 -0.246845D+01 -0.274769D+01
                41            42            43            44            45 
      1  -0.643756D+01 -0.274769D+01 -0.477084D+01 -0.238233D+01 -0.278251D+01
      2   0.722874D+01 -0.224304D+01 -0.238233D+01  0.495958D-02 -0.530100D+01
      3  -0.224304D+01 -0.364603D+01 -0.278251D+01 -0.530100D+01  0.272888D+01
                46            47            48            49            50 
      1   0.104520D+02  0.459928D+01  0.450914D+00  0.418629D+01 -0.154019D+01
      2   0.459928D+01 -0.624454D+01 -0.502669D+01 -0.154019D+01 -0.141460D+01
      3   0.450914D+00 -0.502669D+01 -0.388822D+01 -0.278715D+01 -0.157276D+01
                51            52            53            54            55 
      1  -0.278715D+01  0.547178D+00 -0.199134D+01  0.203594D+00 -0.200130D+01
      2  -0.157276D+01 -0.199134D+01 -0.715834D+00  0.659386D+00 -0.163037D+01
      3   0.223317D+00  0.203594D+00  0.659386D+00  0.270176D+01  0.178200D+01
                56            57            58            59            60 
      1  -0.163037D+01  0.178200D+01 -0.219839D+01  0.539947D+01  0.159503D+01
      2   0.674448D+01  0.210151D+01  0.539947D+01 -0.411788D+01  0.191916D+01
      3   0.210151D+01  0.208927D+01  0.159503D+01  0.191916D+01  0.279080D+01
                61            62            63            64            65 
      1   0.571538D+00 -0.591107D+00  0.180399D+01  0.222052D+01  0.303010D+01
      2  -0.591107D+00  0.253771D+01  0.100029D+01  0.303010D+01 -0.398179D+00
      3   0.180399D+01  0.100029D+01 -0.786937D+01  0.690141D+01 -0.184472D+01
                66            67            68            69            70 
      1   0.690141D+01  0.193342D+01 -0.103432D+01 -0.192987D+01  0.564385D+01
      2  -0.184472D+01 -0.103432D+01 -0.149052D+00 -0.425835D+01 -0.213818D+01
      3   0.126928D+01 -0.192987D+01 -0.425835D+01  0.346871D+01  0.126594D+01
                71            72            73            74            75 
      1  -0.213818D+01  0.126594D+01 -0.203326D+02 -0.418243D+01  0.140726D+01
      2  -0.438912D+01  0.450965D+01 -0.418243D+01 -0.591010D+00  0.170842D+01
      3   0.450965D+01  0.118281D+01  0.140726D+01  0.170842D+01 -0.516055D+00
                76            77            78            79            80 
      1  -0.446652D+01 -0.441176D+01  0.844466D+00  0.373510D+00  0.301276D+00
      2  -0.441176D+01 -0.243215D+01  0.107534D+01  0.301276D+00  0.182395D+00
      3   0.844466D+00  0.107534D+01 -0.305854D+00 -0.386835D+01 -0.111815D+01
                81            82            83            84            85 
      1  -0.386835D+01 -0.172543D+01 -0.255740D+01 -0.615581D+01 -0.339285D+01
      2  -0.111815D+01 -0.255740D+01 -0.199608D+01 -0.488262D+00 -0.347517D+01
      3  -0.190714D+00 -0.615581D+01 -0.488262D+00 -0.254762D+01 -0.555791D+00
                86            87            88            89            90 
      1  -0.347517D+01 -0.555791D+00 -0.744658D+01 -0.562567D+00 -0.361058D+01
      2   0.804082D+01  0.268334D+01 -0.562567D+00  0.237225D+01 -0.389094D+01
      3   0.268334D+01 -0.416821D+01 -0.361058D+01 -0.389094D+01  0.355236D+01
                91            92            93            94            95 
      1   0.278729D+01 -0.673742D+00 -0.720721D+01 -0.136753D+01 -0.260685D+01
      2  -0.673742D+00 -0.236067D+01 -0.918202D+00 -0.260685D+01  0.819119D+01
      3  -0.720721D+01 -0.918202D+00 -0.247231D+01 -0.122937D+01  0.152930D+01
                96            97            98            99           100 
      1  -0.122937D+01 -0.633322D+01 -0.125986D+01 -0.250289D+01  0.310077D+01
      2   0.152930D+01 -0.125986D+01  0.294767D+01 -0.399668D+01 -0.532265D+00
      3  -0.479178D+01 -0.250289D+01 -0.399668D+01 -0.565897D+00 -0.326795D+01
               101           102           103           104           105 
      1  -0.532265D+00 -0.326795D+01 -0.142871D+01  0.897197D+00  0.195975D+01
      2   0.156825D+01  0.104860D+01  0.897197D+00 -0.142108D+01 -0.125188D+01
      3   0.104860D+01  0.457726D+01  0.195975D+01 -0.125188D+01 -0.356291D+01
               106           107           108           109           110 
      1  -0.246728D+01  0.686554D+00  0.296448D+01 -0.600743D+01  0.132887D+01
      2   0.686554D+00 -0.104510D+01 -0.143925D+01  0.132887D+01 -0.172111D+01
      3   0.296448D+01 -0.143925D+01 -0.846351D+01 -0.478859D+01  0.171802D+01
               111           112           113           114           115 
      1  -0.478859D+01  0.112959D+01 -0.113109D+01  0.120215D+01 -0.267214D+01
      2   0.171802D+01 -0.113109D+01  0.119706D+01 -0.108964D+01  0.101281D+01
      3  -0.490113D+01  0.120215D+01 -0.108964D+01  0.104178D+01 -0.267267D+01
               116           117           118           119           120 
      1   0.101281D+01 -0.267267D+01 -0.119089D+01  0.269665D+01 -0.857923D+00
      2  -0.704760D+00  0.851979D+00  0.269665D+01 -0.517451D+01  0.915037D+00
      3   0.851979D+00 -0.486377D+01 -0.857923D+00  0.915037D+00 -0.108978D+01
               121           122           123           124           125 
      1   0.192044D+01 -0.258213D+01  0.345626D+00 -0.427052D+00 -0.768417D-02
      2  -0.258213D+01  0.113575D+02 -0.223162D+01 -0.768417D-02 -0.103092D+01
      3   0.345626D+00 -0.223162D+01  0.153711D+01 -0.471614D+00  0.122127D+01
               126           127           128           129           130 
      1  -0.471614D+00  0.878525D+01  0.368260D+01 -0.294947D+01  0.192447D+01
      2   0.122127D+01  0.368260D+01  0.302465D+01 -0.156915D+01  0.172382D+01
      3  -0.423456D+00 -0.294947D+01 -0.156915D+01  0.258427D+01 -0.924337D+00
               131           132           133           134           135 
      1   0.172382D+01 -0.924337D+00 -0.253782D+01 -0.120600D+01  0.194412D+01
      2   0.235492D+01 -0.106647D+01 -0.120600D+01 -0.132085D+01  0.857764D+00
      3  -0.106647D+01  0.471126D+00  0.194412D+01  0.857764D+00 -0.161003D+01
               136           137           138           139           140 
      1  -0.145345D+00  0.209728D+00  0.156019D+01 -0.458024D+00 -0.498125D+00
      2   0.209728D+00 -0.859946D+00 -0.586576D+00 -0.498125D+00  0.384388D+00
      3   0.156019D+01 -0.586576D+00 -0.181677D+01  0.284532D+00  0.975287D+00
               141           142           143           144           145 
      1   0.284532D+00  0.212043D+01 -0.162837D+00 -0.193085D+01 -0.356864D+01
      2   0.975287D+00 -0.162837D+00  0.177427D+01  0.125629D+01  0.352475D+01
      3  -0.139147D+01 -0.193085D+01  0.125629D+01  0.121295D+02  0.314703D+00
               146           147           148           149           150 
      1   0.352475D+01  0.314703D+00  0.369181D+01 -0.406563D+01 -0.575311D+00
      2  -0.488162D+01 -0.102279D+01 -0.406563D+01  0.953437D+01  0.541188D+00
      3  -0.102279D+01 -0.107072D+01 -0.575311D+00  0.541188D+00  0.123477D+01
               151           152           153           154           155 
      1  -0.115598D+01  0.883168D+00 -0.480508D+00  0.522693D+01  0.342318D+01
      2   0.883168D+00 -0.167682D+01  0.112260D+01  0.342318D+01  0.357955D+01
      3  -0.480508D+00  0.112260D+01  0.841789D+00  0.365801D+01  0.213296D+01
               156           157           158           159           160 
      1   0.365801D+01  0.202191D+01  0.296413D+01  0.133694D+01  0.343826D+01
      2   0.213296D+01  0.296413D+01  0.374178D+01  0.247983D+01  0.207029D+01
      3   0.330802D+01  0.133694D+01  0.247983D+01  0.250375D+01  0.319847D+01
               161           162           163           164           165 
      1   0.207029D+01  0.319847D+01 -0.645468D+01 -0.224108D+01 -0.441006D+01
      2   0.280090D+01  0.335208D+01 -0.224108D+01 -0.261617D+01 -0.147097D+01
      3   0.335208D+01  0.466768D+01 -0.441006D+01 -0.147097D+01 -0.411298D+01
               166           167           168           169           170 
      1  -0.620714D+00 -0.107159D+01 -0.190358D+00 -0.390933D+01 -0.951001D+00
      2  -0.107159D+01 -0.400293D+00 -0.383100D+00 -0.951001D+00 -0.102219D+01
      3  -0.190358D+00 -0.383100D+00 -0.413163D+00 -0.319155D+01 -0.191572D+01
               171           172           173           174           175 
      1  -0.319155D+01 -0.861853D+00 -0.140594D+01 -0.323389D-01 -0.117437D+01
      2  -0.191572D+01 -0.140594D+01 -0.120284D+01  0.628502D+00 -0.104049D+01
      3  -0.428514D+01 -0.323389D-01  0.628502D+00 -0.564623D+00  0.493948D+00
               176           177           178           179           180 
      1  -0.104049D+01  0.493948D+00  0.767399D+00  0.110470D+01 -0.459674D+00
      2  -0.710916D+01  0.290342D+01  0.110470D+01  0.565965D+01 -0.277936D+01
      3   0.290342D+01 -0.240116D+01 -0.459674D+00 -0.277936D+01  0.358904D+01
               181           182           183           184           185 
      1   0.401784D+01 -0.217371D+01 -0.298331D+01 -0.136490D+01  0.172922D+01
      2  -0.217371D+01  0.344378D+01  0.219706D+01  0.172922D+01 -0.230778D+01
      3  -0.298331D+01  0.219706D+01  0.315940D+01  0.120804D+01 -0.109126D+01
               186           187           188           189           190 
      1   0.120804D+01 -0.276726D+01  0.145242D+01  0.198013D+01  0.110363D+01
      2  -0.109126D+01  0.145242D+01 -0.200964D+01 -0.264855D+01  0.101689D+01
      3  -0.157754D+01  0.198013D+01 -0.264855D+01 -0.407048D+01 -0.108226D+01
               191           192           193           194           195 
      1   0.101689D+01 -0.108226D+01  0.208945D+01  0.561021D+00 -0.631783D+00
      2   0.402951D+00 -0.314876D+00  0.561021D+00  0.112495D+01 -0.180855D+01
      3  -0.314876D+00  0.165347D+01 -0.631783D+00 -0.180855D+01  0.260507D+01
               196           197           198           199           200 
      1  -0.256330D+01 -0.219290D+00  0.254857D+01  0.144472D+01 -0.139990D+01
      2  -0.219290D+00 -0.219356D+01  0.218583D+01 -0.139990D+01  0.148055D+01
      3   0.254857D+01  0.218583D+01 -0.676378D+01  0.100963D+00  0.318413D+00
               201           202           203           204           205 
      1   0.100963D+00 -0.350943D+01  0.369565D+01  0.772558D+00  0.174997D+00
      2   0.318413D+00  0.369565D+01 -0.987210D+01 -0.165453D+01  0.478955D+00
      3   0.465167D+00  0.772558D+00 -0.165453D+01 -0.137295D+01  0.942840D+00
               206           207           208           209           210 
      1   0.478955D+00  0.942840D+00  0.922367D+01  0.121717D+01  0.347449D+01
      2  -0.137587D+01 -0.976267D+00  0.121717D+01  0.130071D+01  0.382111D+00
      3  -0.976267D+00 -0.960947D+00  0.347449D+01  0.382111D+00  0.230789D+01
               211           212           213           214           215 
      1   0.327752D+01  0.184229D+01  0.100770D+01  0.682023D+01  0.573000D+00
      2   0.184229D+01  0.188284D+00  0.465845D+00  0.573000D+00  0.959189D+00
      3   0.100770D+01  0.465845D+00  0.127232D+01  0.338707D+01  0.852621D+00
               216           217           218           219           220 
      1   0.338707D+01 -0.623783D+01 -0.127031D-01  0.314437D+01  0.262711D+00
      2   0.852621D+00 -0.127031D-01 -0.163206D+01  0.118807D+01 -0.811731D+00
      3   0.278567D+01  0.314437D+01  0.118807D+01 -0.377672D+01  0.442244D+00
               221           222           223           224           225 
      1  -0.811731D+00  0.442244D+00  0.268973D+01  0.467100D+00 -0.202810D+01
      2  -0.697943D+00  0.322520D+00  0.467100D+00  0.449426D+00 -0.135614D+00
      3   0.322520D+00  0.374306D+00 -0.202810D+01 -0.135614D+00  0.341084D+01
               226           227           228           229           230 
      1   0.449651D+01  0.302848D+00  0.435957D+01  0.161789D+01  0.106788D+01
      2   0.302848D+00  0.142145D+01  0.108937D+00  0.106788D+01  0.800792D-01
      3   0.435957D+01  0.108937D+00  0.514024D+01  0.137518D+01  0.810372D+00
               231           232           233           234           235 
      1   0.137518D+01  0.346008D+01  0.296916D+00  0.390156D+01  0.698376D+00
      2   0.810372D+00  0.296916D+00  0.703786D+00  0.622024D+00 -0.142360D+01
      3   0.277124D+01  0.390156D+01  0.622024D+00  0.709804D+01  0.757193D+00
               236           237           238           239           240 
      1  -0.142360D+01  0.757193D+00 -0.171490D+01  0.214895D+01 -0.246883D+00
      2   0.192321D+01 -0.181479D+00  0.214895D+01 -0.113404D+02  0.134807D+01
      3  -0.181479D+00  0.639212D+00 -0.246883D+00  0.134807D+01 -0.177845D+01
               241           242           243 
      1   0.154124D+00  0.350043D+00  0.311515D+00
      2   0.350043D+00 -0.122468D+01 -0.549918D+00
      3   0.311515D+00 -0.549918D+00 -0.345444D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.225568D+01  0.142047D+01  0.233317D+01  0.324412D+01 -0.787224D+01
      2   0.129248D+02 -0.199179D+00  0.426240D+01  0.228157D+01 -0.585208D+01
      3   0.108221D+01 -0.843532D+01 -0.304407D+01  0.185842D+00  0.998276D+01
                 6             7             8             9            10 
      1  -0.390431D+01  0.587971D+01  0.429271D+01  0.256067D+01 -0.541163D+01
      2   0.399211D+01 -0.298699D+01  0.447906D+01 -0.379036D+01 -0.325931D+01
      3   0.396481D+01 -0.324607D+01  0.405104D+01 -0.489811D+01 -0.260874D+01
                11            12            13            14            15 
      1  -0.309325D+01  0.764054D+00  0.191127D+01  0.536806D+01 -0.144291D+02
      2  -0.440803D+01  0.133474D+01 -0.448735D+01 -0.239383D+00  0.177867D+01
      3  -0.286366D+01  0.551310D+01  0.915505D+01  0.243346D+00  0.127268D+01
                16            17            18            19            20 
      1  -0.772848D+01 -0.997788D+00 -0.264079D+01  0.576980D+01  0.561029D+01
      2  -0.819616D+01  0.508657D+01 -0.683474D+01  0.672219D+01 -0.158469D+01
      3   0.470915D+01  0.347289D+01 -0.107810D+00 -0.429130D+00 -0.543108D+01
                21            22            23            24            25 
      1   0.553069D+01 -0.113865D+01  0.266774D+01  0.795656D+01  0.639654D+01
      2   0.144324D+02 -0.111200D+01 -0.118099D+01 -0.103895D+02  0.502613D+01
      3   0.641413D+00  0.943628D-01 -0.140496D+00 -0.193271D+01  0.116980D+01
                26            27            28            29            30 
      1   0.129130D+02 -0.141511D+01 -0.681178D+01 -0.846205D+01 -0.142206D+01
      2  -0.970850D+01  0.109795D+01 -0.251792D+01 -0.234780D+01  0.617503D+01
      3  -0.220371D+01  0.648090D+00 -0.109551D+02 -0.158782D+02  0.780370D+01
                31            32            33            34            35 
      1  -0.748387D+01 -0.344675D+01 -0.138446D+02 -0.514476D+00 -0.700584D+01
      2  -0.306330D+00  0.631915D+01  0.410505D+01  0.920097D+00  0.303895D+01
      3  -0.447621D+01  0.155401D+02  0.665565D+00  0.665310D+01  0.213784D+01
                36            37            38            39            40 
      1   0.829716D+01  0.520707D+01  0.111866D+01  0.608972D+00  0.242671D+00
      2  -0.537074D+01 -0.773364D+01 -0.142632D+01  0.497884D+01 -0.182674D+01
      3  -0.206456D+01  0.697318D+01 -0.285235D+01 -0.517362D+01  0.724414D+01
                41            42            43            44            45 
      1   0.728868D+01  0.195827D+01 -0.999248D+00  0.105175D+02 -0.102667D+02
      2   0.244255D+01 -0.156600D+01 -0.288076D+01 -0.131850D+01  0.412300D+01
      3  -0.128668D+02 -0.197433D+01 -0.426349D+01 -0.256057D+01 -0.104727D+00
                46            47            48            49            50 
      1   0.396455D+01  0.181148D+01  0.544945D+01  0.438900D+01 -0.158374D+02
      2  -0.389817D+01  0.935674D+01 -0.286433D+01  0.787761D+01 -0.310390D+01
      3   0.583352D+00  0.149313D+01 -0.894135D+01  0.563609D+01  0.209546D+01
                51            52            53            54            55 
      1  -0.157928D+01  0.196683D+01  0.120309D+02  0.163061D+02 -0.655642D+01
      2  -0.762980D+00 -0.116569D+02  0.152346D+01  0.649382D+01  0.352856D+01
      3  -0.345257D+01 -0.910166D+01 -0.359995D+01  0.406988D+00 -0.694699D+01
                56            57            58            59            60 
      1   0.764893D+01 -0.236138D+01  0.620875D+01 -0.725189D+01 -0.780625D+01
      2   0.995217D+00 -0.522254D+01  0.110025D+01 -0.860514D+01 -0.279351D+01
      3   0.464299D+01  0.678792D+01  0.801394D+01  0.252115D+01  0.156958D+01
                61            62            63            64            65 
      1  -0.896062D+00  0.642850D+01  0.155795D+02  0.878384D+01 -0.198872D+01
      2  -0.101359D+02  0.161534D+00  0.931937D+01 -0.260938D+01  0.594443D+01
      3   0.478448D+01 -0.372504D+00  0.366445D+01 -0.247041D+01 -0.115162D+02
                66            67            68            69            70 
      1   0.490780D+01 -0.354133D+01 -0.940618D+01  0.106947D+02  0.416985D+01
      2   0.998994D+01  0.336036D+01  0.248770D+01 -0.494954D+01  0.342185D+01
      3  -0.163966D+02 -0.259975D+01  0.196005D+01  0.945528D+00 -0.132392D+02
                71            72            73            74            75 
      1   0.195781D+02 -0.305454D+01 -0.118932D+00 -0.478818D+00 -0.581993D+01
      2  -0.694352D+01  0.865433D+00  0.378094D+01  0.526712D+00  0.160037D+02
      3  -0.185214D+00 -0.368199D-01 -0.402547D+01 -0.172329D+02  0.221433D+00
                76            77            78            79            80 
      1  -0.311146D+01  0.328889D+01 -0.195373D+01  0.110535D+01 -0.145318D+01
      2  -0.224599D+01  0.292126D+01  0.407660D+01  0.499116D+01  0.437277D+00
      3  -0.333100D+01 -0.863998D+01  0.549482D+00  0.106057D+01  0.112548D+01
                81            82            83            84            85 
      1  -0.604411D+01 -0.320487D+01  0.550872D-02 -0.231102D+01 -0.275045D+00
      2  -0.204234D+01 -0.154043D+02 -0.895701D+00 -0.636163D+01 -0.243212D+01
      3  -0.304719D+01  0.715808D+01  0.531117D+01  0.420651D+01  0.156779D+02
                86            87            88            89            90 
      1   0.114154D+01 -0.572047D+01 -0.539859D+01 -0.743021D+00  0.394900D+01
      2   0.766178D+01 -0.105342D+02 -0.165568D+02 -0.918216D+01  0.114062D+02
      3  -0.197772D+02 -0.810008D+01  0.577231D+01 -0.719368D+01  0.126427D+02
                91            92            93            94            95 
      1  -0.110677D+02 -0.548434D+01 -0.451941D+01 -0.759470D+01  0.205783D+02
      2  -0.140432D+02 -0.892830D+00  0.164429D+02  0.164003D-01  0.615526D+01
      3  -0.413242D+01  0.143008D+00  0.114707D+02  0.574267D+01 -0.562678D+01
                96            97            98            99           100 
      1  -0.698173D+01 -0.493393D+01  0.344485D+01 -0.110502D+02  0.479152D+00
      2  -0.186774D+01  0.812391D+01 -0.239124D+01  0.366155D+01  0.785991D+01
      3   0.217856D-01  0.916905D+01 -0.203784D+01  0.653250D+01  0.125290D+01
               101           102           103           104           105 
      1  -0.582599D+01 -0.269875D+01 -0.399443D+00  0.450751D+01 -0.473886D+00
      2  -0.182598D+01 -0.402695D+01 -0.327908D+01  0.175108D+01  0.231087D+01
      3  -0.174187D+01 -0.119444D+01  0.865070D+00  0.299224D+00  0.249224D+00
               106           107           108           109           110 
      1  -0.202643D+01  0.619779D+01  0.369601D+01 -0.475307D+00  0.456773D+01
      2  -0.724739D+01  0.177098D+01  0.415018D+01 -0.135728D+02  0.186323D+01
      3  -0.411520D+00  0.175300D+01  0.823398D+00 -0.378059D+01 -0.217429D+01
               111           112           113           114           115 
      1  -0.382344D+00  0.118401D+01 -0.209475D+01 -0.568104D+00  0.957718D-01
      2  -0.541198D+01  0.300754D+01 -0.196574D+01  0.237204D+01 -0.672714D+01
      3  -0.211213D+01  0.194123D+01  0.285711D+00  0.761271D+00 -0.196720D+01
               116           117           118           119           120 
      1   0.217462D+01  0.545085D+00 -0.365186D+00  0.382407D+01  0.350658D+01
      2   0.184714D+01 -0.425717D+01 -0.233788D+01  0.281980D+01  0.939019D-02
      3  -0.668693D+00 -0.175085D+01 -0.596161D+01  0.780430D+01 -0.224121D+01
               121           122           123           124           125 
      1   0.224865D+01 -0.658924D+01 -0.535242D+01  0.103101D+01  0.322609D+00
      2   0.260303D+01 -0.421635D+01  0.558276D+00 -0.177930D+01  0.116575D+01
      3   0.953992D+01 -0.125539D+02  0.183088D+01 -0.117682D+01  0.732312D+00
               126           127           128           129           130 
      1  -0.712986D+00  0.350304D+01 -0.104728D+01 -0.575166D+01  0.329516D+00
      2  -0.196631D+00  0.770838D+01  0.182245D+01  0.218522D+01  0.102988D+01
      3  -0.212411D+01  0.181854D+02  0.178189D+01 -0.481068D+01  0.355244D+01
               131           132           133           134           135 
      1   0.673800D+00 -0.109625D+01 -0.312507D+01  0.164051D+01  0.217574D+01
      2   0.721485D+00  0.270046D+00 -0.267417D+01 -0.673700D+00 -0.332783D+00
      3   0.121236D+01 -0.130412D+01 -0.508724D+01 -0.879732D+00  0.367751D+01
               136           137           138           139           140 
      1  -0.152142D+01  0.393883D+00  0.313726D+01  0.357002D+00 -0.165332D+01
      2  -0.150690D+01  0.755573D+00  0.179069D+01  0.595040D+00 -0.148520D+00
      3   0.411445D+00 -0.249732D+01  0.751650D+00  0.338586D-02 -0.162882D+01
               141           142           143           144           145 
      1   0.465913D+01  0.327907D+01  0.168468D+01 -0.215430D+02  0.405984D+01
      2   0.278403D+01 -0.361375D+01 -0.149770D+01 -0.122547D+02  0.403518D+01
      3   0.114716D+01  0.302999D+01  0.236225D+01 -0.311056D+01 -0.142231D+01
               146           147           148           149           150 
      1  -0.814685D+01  0.138389D+00 -0.506321D+01  0.137198D+02 -0.278967D+01
      2  -0.420290D+01  0.273026D+01 -0.471457D+01  0.665641D+01 -0.124059D+01
      3  -0.284035D+01 -0.107885D+01  0.475636D+01  0.533906D+01 -0.418193D+00
               151           152           153           154           155 
      1   0.157525D+01 -0.400653D+01  0.503096D+00 -0.246586D+01  0.141401D+01
      2   0.110306D+01 -0.224239D+01  0.663570D+00 -0.226695D+01 -0.653792D+00
      3  -0.140572D+01 -0.139613D+01  0.344522D+00  0.624999D+01 -0.528390D+00
               156           157           158           159           160 
      1  -0.435817D+01 -0.607505D+00 -0.206738D+00 -0.476149D+01 -0.224804D+01
      2   0.225458D+01 -0.179050D+01 -0.293609D+00  0.166216D+01 -0.249804D+01
      3   0.345610D+01  0.371273D+01  0.783499D+00  0.723500D+00  0.464221D+01
               161           162           163           164           165 
      1   0.358686D+00 -0.478102D+01 -0.542701D+01  0.182245D+01 -0.709076D+01
      2   0.128990D+01  0.265889D+01 -0.663779D+01 -0.118583D+01  0.230611D+00
      3  -0.721579D+00  0.169561D+01  0.134087D+02 -0.368743D+00  0.797000D+01
               166           167           168           169           170 
      1   0.146886D+00 -0.621054D-01 -0.171611D+01 -0.537689D+01 -0.214853D+00
      2  -0.643460D+00 -0.115115D+01  0.826129D-01 -0.448465D+01 -0.736171D-01
      3   0.170332D+01  0.165400D+01  0.731656D+00  0.819531D+01  0.300561D+00
               171           172           173           174           175 
      1  -0.618335D+01  0.147960D+01  0.252577D+01 -0.160731D+01  0.251383D+01
      2  -0.616907D-01 -0.625190D+00 -0.202467D+01  0.131543D+01 -0.711593D+00
      3   0.565821D+01  0.101863D+01  0.100865D+01  0.140782D+00  0.448453D+01
               176           177           178           179           180 
      1   0.137630D+02 -0.121316D+02 -0.142793D+01 -0.111327D+02  0.137345D+02
      2  -0.329469D+01  0.264589D+01 -0.476306D+00  0.329843D+01 -0.394350D+01
      3  -0.252492D+01  0.811572D+00 -0.284432D+01  0.178845D+01 -0.129048D+01
               181           182           183           184           185 
      1  -0.330546D+01 -0.186126D+01  0.468885D+01  0.495191D+00  0.732599D+00
      2   0.873290D+01 -0.363399D+01 -0.345132D+01 -0.269340D+01  0.236693D+01
      3  -0.118916D+02  0.392176D+01  0.700786D+01  0.522725D+01 -0.360656D+01
               186           187           188           189           190 
      1  -0.352306D+01  0.216599D+01 -0.464038D+00 -0.479085D+01 -0.114868D+01
      2   0.160414D+01 -0.631570D+01  0.298760D+01  0.352597D+01 -0.224361D+01
      3  -0.290503D+01  0.732063D+01 -0.258634D+01 -0.522264D+01 -0.272094D+01
               191           192           193           194           195 
      1  -0.730218D+00  0.698702D+00 -0.870928D-01 -0.279501D+01  0.162629D+01
      2  -0.301208D+00  0.419755D+01  0.526691D+00 -0.536709D+01  0.826716D+01
      3  -0.208721D+01  0.157381D+01 -0.423833D+00 -0.514165D+01  0.594075D+01
               196           197           198           199           200 
      1   0.109933D+01  0.539902D+01 -0.448708D+01  0.384969D+00 -0.608417D+00
      2   0.134028D+01  0.720089D+01 -0.193604D+02  0.370423D+00  0.320484D+00
      3   0.784381D+00  0.782453D+01 -0.783566D+01  0.286938D+01 -0.411139D+01
               201           202           203           204           205 
      1   0.662594D+00  0.106835D+00  0.158012D+01 -0.404552D+01  0.440336D+00
      2   0.205772D+01  0.958113D+00 -0.428771D+01 -0.490339D+01  0.108773D+01
      3  -0.801171D+00 -0.287526D+01  0.250282D+02  0.401795D+01 -0.874143D+00
               206           207           208           209           210 
      1   0.853162D+00 -0.884001D+00  0.231683D+01  0.114824D+01  0.110550D+01
      2  -0.211935D+01 -0.259215D+01  0.958047D+01  0.187989D+01  0.102643D+02
      3   0.407183D+01  0.190265D+01 -0.813640D+01 -0.713201D+01 -0.341645D+01
               211           212           213           214           215 
      1   0.977617D+00  0.822412D+00 -0.282077D+00  0.264857D+01  0.201800D+01
      2   0.265418D+01  0.121754D+01  0.429148D+01  0.698089D+01  0.240616D+01
      3  -0.465508D+01 -0.212045D+01 -0.155625D+01 -0.499109D+01 -0.445846D+01
               216           217           218           219           220 
      1   0.107284D+01  0.529942D+01 -0.401002D+01 -0.271495D+01 -0.194428D+01
      2   0.903981D+01  0.188674D+02 -0.561215D+00 -0.635592D+01 -0.804778D+00
      3  -0.422340D+01  0.995773D+01 -0.213574D+01 -0.435646D+01  0.630245D+00
               221           222           223           224           225 
      1  -0.871560D-01  0.143947D+00 -0.229764D+01  0.218122D+01  0.349290D+01
      2   0.237142D+01 -0.427855D+00 -0.926846D+01 -0.637520D+00  0.528608D+01
      3   0.149432D+01 -0.836296D+00 -0.413216D+01  0.312743D+00  0.262379D+01
               226           227           228           229           230 
      1   0.605000D+01  0.493551D+01  0.631407D+01  0.343811D+01  0.186829D+01
      2  -0.578115D+01 -0.107891D+01 -0.697869D+00 -0.242036D+01 -0.988800D+00
      3  -0.483313D+01 -0.393867D+01 -0.470846D+01 -0.168340D+01 -0.161332D+01
               231           232           233           234           235 
      1   0.350354D+01  0.526419D+01  0.505377D+01  0.949618D+01 -0.167352D+01
      2   0.671445D+00 -0.678659D+01 -0.451250D-01  0.126742D+00 -0.254642D-01
      3  -0.208742D+01 -0.452129D+01 -0.240015D+01 -0.513207D+01  0.273008D+00
               236           237           238           239           240 
      1   0.349020D+01  0.119167D+01  0.380562D+01 -0.218055D+02 -0.443531D+01
      2   0.204590D+01  0.589385D+00  0.345761D+01 -0.237742D+01 -0.203735D+01
      3  -0.115307D+01 -0.379325D+00  0.389101D+01  0.869092D+01 -0.984380D+00
               241           242           243 
      1   0.745773D+00 -0.225984D+01 -0.244514D+01
      2  -0.723085D+00 -0.749649D+00 -0.103333D+01
      3  -0.290933D-01  0.133161D+01  0.328618D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.149385D+02  0.515659D+01  0.191993D+02  0.703874D+01  0.102125D+02
      2  -0.254997D+00 -0.379928D+01 -0.120024D+02 -0.557885D+01 -0.203880D+01
      3   0.151935D+02 -0.135731D+01 -0.719694D+01 -0.145989D+01 -0.817372D+01
      4   0.785311D-01  0.547164D+01 -0.664967D+01  0.713354D+01 -0.162068D+02
      5   0.169342D+02 -0.134279D+01  0.100939D+02  0.131642D+01  0.523642D+00
      6  -0.993416D+01  0.296165D+01 -0.162820D+01  0.426937D+01 -0.649937D+01
                 6             7             8             9            10 
      1  -0.577831D+01  0.236325D+02 -0.366277D+01  0.129779D+02  0.202641D+01
      2  -0.478059D+01 -0.126975D+02 -0.228032D+01 -0.571700D+01 -0.158577D+01
      3   0.105589D+02 -0.109350D+02  0.594309D+01 -0.726095D+01 -0.440638D+00
      4  -0.671006D+00 -0.561817D+01  0.328738D-01  0.282820D+01  0.779793D+01
      5   0.800825D+01  0.128620D+02  0.691847D+01 -0.227790D+01 -0.321403D+01
      6  -0.525079D+01 -0.211437D+01 -0.591043D+01  0.410661D+01  0.901321D+01
                11            12            13            14            15 
      1   0.624796D+01  0.160837D+01  0.100118D+02 -0.834799D+00 -0.174145D+02
      2  -0.232992D+01  0.535913D+01  0.397445D+00  0.928432D+01 -0.425959D+01
      3  -0.391804D+01 -0.696750D+01 -0.104092D+02 -0.844952D+01  0.216741D+02
      4   0.345232D+01  0.368306D+01  0.210128D+00  0.238703D+01 -0.167915D+01
      5  -0.269536D+01  0.502022D+01 -0.320191D+01 -0.248192D+01 -0.550673D+01
      6  -0.211301D+01  0.131203D+01 -0.709865D+00  0.389205D+01 -0.518908D+01
                16            17            18            19            20 
      1  -0.198281D+02 -0.885902D+01 -0.251426D+01  0.882950D+01 -0.339720D+01
      2   0.766528D+01 -0.431803D+01  0.500752D+00  0.160868D+02 -0.147084D+02
      3   0.121628D+02  0.131770D+02  0.201351D+01 -0.249163D+02  0.181056D+02
      4   0.845588D+01 -0.582900D+01  0.328317D+01  0.537236D+01 -0.355015D+01
      5   0.225873D+01 -0.273884D+00  0.592877D-01 -0.123793D+02  0.378428D+01
      6  -0.151504D+00  0.369759D+00  0.137237D+02  0.558894D+01 -0.827259D+00
                21            22            23            24            25 
      1  -0.117076D+02 -0.151838D+02 -0.748684D+01  0.181570D+02 -0.238202D+01
      2  -0.612095D+01 -0.929205D+01 -0.799193D+01  0.106230D+01 -0.780035D+01
      3   0.178285D+02  0.244758D+02  0.154788D+02 -0.192193D+02  0.101824D+02
      4   0.413726D+01 -0.343793D+01 -0.430952D+01 -0.268765D+01  0.191254D+01
      5  -0.277462D+02  0.765343D+01  0.342916D+01  0.146548D+02 -0.191199D+02
      6   0.127643D+02 -0.362865D+01 -0.505754D+01  0.772959D+01  0.100223D+02
                26            27            28            29            30 
      1   0.840216D+01  0.490753D+01 -0.654891D+01 -0.199581D+02  0.791527D+01
      2   0.153003D+01  0.166347D+02 -0.861623D+01  0.318528D+02  0.147950D+01
      3  -0.993219D+01 -0.215423D+02  0.151651D+02 -0.118947D+02 -0.939477D+01
      4  -0.233432D+01  0.495753D+01 -0.240119D+02 -0.160306D+02  0.163191D+02
      5   0.103277D+02  0.446528D+01  0.153403D+02  0.103356D+02 -0.351128D+01
      6   0.590050D+01 -0.618642D+01  0.197893D+02 -0.176216D+01 -0.670245D+01
                31            32            33            34            35 
      1  -0.125889D+02  0.204062D+02 -0.630303D-01  0.634596D+01  0.155751D+01
      2   0.220600D+02 -0.301264D+02  0.121307D+02  0.518459D+00  0.929410D+01
      3  -0.947102D+01  0.972021D+01 -0.120677D+02 -0.686442D+01 -0.108516D+02
      4  -0.494907D+01  0.155138D+02  0.275233D+01  0.133095D+02  0.391842D+01
      5   0.371833D+01 -0.429433D+01  0.175583D+00 -0.599320D+01  0.689989D+00
      6  -0.183732D+01  0.118219D+02  0.209944D+01 -0.417009D+01  0.275012D+01
                36            37            38            39            40 
      1  -0.979283D+01  0.953435D-01  0.404197D+01 -0.116344D+01  0.354819D+01
      2   0.769010D+01  0.254434D+01 -0.109632D+02 -0.404419D+01 -0.748417D+01
      3   0.210273D+01 -0.263968D+01  0.692119D+01  0.520762D+01  0.393598D+01
      4   0.350420D+01  0.435119D+00 -0.101414D+02 -0.155872D+02 -0.907275D+01
      5  -0.174504D+01 -0.759040D+01 -0.114121D+02 -0.129809D+02 -0.598386D+01
      6  -0.121197D+02 -0.168852D+02 -0.140976D+02 -0.447622D+01 -0.106796D+02
                41            42            43            44            45 
      1  -0.107691D+02 -0.577646D+00 -0.382981D+01 -0.126408D+01  0.369046D+01
      2   0.144730D+02 -0.136222D+01  0.988638D+00 -0.460806D+00 -0.103081D+02
      3  -0.370391D+01  0.193987D+01  0.284118D+01  0.172489D+01  0.661768D+01
      4  -0.390652D+01 -0.706895D+01 -0.117276D+02 -0.629961D+01 -0.154582D+02
      5  -0.722264D+01 -0.945318D+01 -0.105938D+02 -0.126184D+02 -0.785574D+01
      6   0.926265D+00 -0.112601D+02 -0.874674D+01 -0.150913D+02  0.300253D+01
                46            47            48            49            50 
      1  -0.716678D+02 -0.887112D+01  0.427250D+01 -0.242066D+02  0.280656D+01
      2   0.342807D+02 -0.301107D+01 -0.487396D+01  0.112006D+02 -0.616207D+01
      3   0.373871D+02  0.118822D+02  0.601456D+00  0.130060D+02  0.335550D+01
      4  -0.186346D+02 -0.122459D+02  0.372478D+01 -0.950089D+00 -0.561094D+01
      5   0.683544D+01  0.633441D+01 -0.126020D+02  0.396208D+01  0.665036D+00
      6   0.783086D+00  0.120418D+01 -0.821072D+01  0.380131D+01 -0.695368D+01
                51            52            53            54            55 
      1   0.171645D+02  0.158290D+01  0.140335D+02  0.530509D+00  0.323352D+01
      2  -0.514977D+00  0.207287D+01 -0.834890D+01 -0.224248D+01 -0.912375D+01
      3  -0.166495D+02 -0.365577D+01 -0.568465D+01  0.171197D+01  0.589024D+01
      4   0.270211D+01 -0.972247D+00  0.537890D+01 -0.364372D+01  0.374153D+01
      5  -0.678584D+01  0.474647D+01 -0.128133D+01 -0.146670D+00 -0.208723D+01
      6  -0.508674D+01 -0.769353D+00 -0.330593D+00 -0.854814D+01  0.522651D+01
                56            57            58            59            60 
      1  -0.931067D+01 -0.900021D+01  0.209600D+01 -0.244784D+01 -0.116216D+02
      2   0.219968D+02  0.233600D+01  0.123007D+02 -0.154753D+02 -0.709346D+00
      3  -0.126861D+02  0.666421D+01 -0.143967D+02  0.179231D+02  0.123310D+02
      4  -0.183194D+02  0.146587D+00 -0.109445D+02  0.235943D+02 -0.160526D+01
      5  -0.232449D+01 -0.719346D+00 -0.151276D-01  0.416939D+01 -0.695645D-01
      6   0.126823D+02  0.439757D+01  0.516510D+01  0.167157D+01  0.117859D+02
                61            62            63            64            65 
      1   0.317355D+01 -0.404911D+01  0.137613D+02  0.750407D+01 -0.752649D+01
      2  -0.751030D+01  0.110470D+02  0.208770D+02  0.561930D+01  0.325177D+01
      3   0.433675D+01 -0.699787D+01 -0.346383D+02 -0.131234D+02  0.427472D+01
      4   0.430219D+01 -0.453233D+01  0.847278D+01 -0.732653D+01 -0.125493D+02
      5   0.945745D+00  0.134141D+01  0.185303D+02 -0.122161D+02 -0.108396D+02
      6   0.214477D+01  0.734011D+01 -0.118795D+02 -0.280010D+02  0.100468D+02
                66            67            68            69            70 
      1  -0.131599D+02 -0.758969D+01 -0.112438D+01 -0.271641D+01 -0.112765D+02
      2   0.155346D+02  0.183075D+01 -0.843642D+01  0.236155D+02  0.144120D+02
      3  -0.237472D+01  0.575894D+01  0.956080D+01 -0.208991D+02 -0.313550D+01
      4  -0.252509D+02 -0.993120D+01  0.174711D+01  0.118339D+02 -0.227058D+02
      5  -0.239692D+02 -0.633887D+01  0.963278D+01  0.339548D+00 -0.206520D+02
      6  -0.818608D+00  0.985964D+01  0.178620D+02 -0.951981D+01 -0.355715D+00
                71            72            73            74            75 
      1  -0.725398D+01  0.477766D+01  0.132934D+03  0.175239D+02 -0.493506D+01
      2   0.279097D+02 -0.102642D+02 -0.641496D+02 -0.399953D+01  0.361336D+01
      3  -0.206557D+02  0.548651D+01 -0.687847D+02 -0.135243D+02  0.132170D+01
      4   0.128286D+02 -0.618027D+01  0.240715D+02  0.281394D+02 -0.226153D+01
      5  -0.127477D+01 -0.196962D+01 -0.965481D+01 -0.325636D+01  0.254717D+02
      6  -0.139865D+02 -0.894871D+01 -0.610180D+01 -0.341259D+01  0.530948D+01
                76            77            78            79            80 
      1   0.215576D+02  0.161896D+02 -0.420259D+01  0.281270D+01 -0.321973D+01
      2  -0.928749D+01 -0.708672D+00  0.203444D+01  0.186687D+01  0.139559D+01
      3  -0.122701D+02 -0.154810D+02  0.216814D+01 -0.467957D+01  0.182414D+01
      4   0.307976D+02  0.163772D+02 -0.400760D+01 -0.425613D+01 -0.271340D+01
      5  -0.624274D+01 -0.476975D+01  0.737192D+01  0.257250D+02  0.588091D+01
      6  -0.441947D+01 -0.255272D+01  0.748209D+01  0.320448D+01  0.572170D+01
                81            82            83            84            85 
      1   0.122351D+02 -0.680802D+01 -0.158223D+02 -0.335098D+02 -0.233151D+02
      2  -0.125585D+02  0.683059D+01  0.118022D+02  0.173181D+02  0.195818D+02
      3   0.323397D+00 -0.225669D-01  0.402012D+01  0.161917D+02  0.373334D+01
      4   0.495685D+01 -0.140248D+02 -0.911659D+01  0.155832D+01 -0.144978D+02
      5  -0.567908D+01 -0.335929D+02 -0.161673D+01 -0.153345D+02 -0.580007D+01
      6  -0.798539D+00  0.581193D+01  0.138946D+01  0.125309D+01  0.193656D+01
                86            87            88            89            90 
      1  -0.181750D+01 -0.461658D+00 -0.400835D+02 -0.700905D+00 -0.192099D+02
      2  -0.133896D+02 -0.357652D+01  0.203661D+02 -0.407209D+01  0.152516D+02
      3   0.152071D+02  0.403818D+01  0.197174D+02  0.477299D+01  0.395829D+01
      4   0.371962D+02  0.101629D+02 -0.149051D+01  0.939832D+01 -0.133182D+02
      5   0.101231D+02 -0.168233D+02 -0.221214D+02 -0.155367D+02  0.132109D+02
      6  -0.760928D+01  0.194453D+01  0.133064D+01  0.212191D+01 -0.179210D+01
                91            92            93            94            95 
      1   0.153305D+02 -0.275246D+01 -0.128905D+02 -0.545758D+01  0.539206D+01
      2   0.148244D+02  0.114710D+02  0.183091D+02  0.152891D+02 -0.331376D+02
      3  -0.301549D+02 -0.871855D+01 -0.541859D+01 -0.983151D+01  0.277456D+02
      4  -0.791299D+01 -0.300437D+01  0.922834D+01 -0.377659D+01  0.206634D+02
      5  -0.499249D+01 -0.314167D+01 -0.306855D+02 -0.655027D+01 -0.416974D+01
      6   0.696245D+01 -0.349217D+01 -0.501170D+01 -0.576786D+01  0.170649D+02
                96            97            98            99           100 
      1   0.701884D+01 -0.111294D+02  0.841050D+01 -0.121863D+02 -0.237985D+01
      2   0.999296D+01  0.182171D+02  0.157320D+01  0.189426D+02 -0.121036D+02
      3  -0.170118D+02 -0.708772D+01 -0.998370D+01 -0.675626D+01  0.144835D+02
      4   0.213321D+01  0.834863D+01  0.553647D+01 -0.361516D+01 -0.177335D+01
      5  -0.135173D+02 -0.292521D+02 -0.965186D+01 -0.129485D+02 -0.132062D+02
      6   0.105459D+02 -0.187374D+01  0.119667D+02 -0.126195D+02 -0.487680D-01
               101           102           103           104           105 
      1  -0.258565D+00  0.988543D+01  0.404619D+01 -0.383621D+01 -0.106915D+02
      2   0.551316D+01  0.151761D+02  0.445731D+01 -0.172332D+01 -0.854002D+01
      3  -0.525460D+01 -0.250615D+02 -0.850350D+01  0.555954D+01  0.192315D+02
      4   0.289821D+01 -0.341140D-01  0.213714D+01 -0.145160D+01 -0.129832D+01
      5   0.308163D+01  0.192415D+02  0.366934D+01 -0.464364D+01 -0.605729D+01
      6  -0.580948D+01 -0.157963D+01 -0.305388D+01  0.655546D+01  0.746427D+01
               106           107           108           109           110 
      1   0.584685D+01 -0.332349D+01 -0.219418D+02  0.463739D+01  0.255331D+01
      2   0.101437D+02 -0.469650D+01 -0.278973D+02 -0.156742D+02  0.123337D+01
      3  -0.159906D+02  0.801999D+01  0.498391D+02  0.110368D+02 -0.378668D+01
      4  -0.883604D-01 -0.185283D+01 -0.172213D+01 -0.114612D+02  0.717849D+01
      5   0.154131D+02 -0.458824D+01 -0.181203D+02  0.286867D+02 -0.607244D+01
      6  -0.147004D+01  0.718697D+01  0.206828D+01 -0.935461D+01  0.933439D+01
               111           112           113           114           115 
      1  -0.338993D+01  0.179366D+01 -0.192965D+01  0.250411D+01 -0.210964D+01
      2  -0.132061D+02  0.181912D+01  0.207909D+01  0.497061D+00 -0.779595D+01
      3   0.165961D+02 -0.361278D+01 -0.149440D+00 -0.300118D+01  0.990559D+01
      4  -0.866195D+01  0.761318D+01 -0.296297D+01  0.427108D+01 -0.530507D+01
      5   0.259086D+02 -0.593514D+01  0.487213D+01 -0.620596D+01  0.171706D+02
      6  -0.113753D+02  0.654759D+01 -0.667186D+01  0.890708D+01 -0.739384D+01
               116           117           118           119           120 
      1   0.194860D+01 -0.853441D+01 -0.336306D+01  0.152014D+02 -0.469274D+01
      2  -0.599305D-01 -0.148525D+02  0.109312D+02 -0.274004D+02  0.313910D+01
      3  -0.188867D+01  0.233869D+02 -0.756811D+01  0.121989D+02  0.155364D+01
      4   0.264495D+01 -0.624831D+01 -0.680501D+01  0.143191D+02 -0.383149D+01
      5  -0.497967D+01  0.166934D+02  0.139865D+01 -0.465604D+01  0.284895D+01
      6   0.635247D+01 -0.941540D+01 -0.674911D+01  0.106762D+02 -0.620225D+01
               121           122           123           124           125 
      1   0.884422D+01 -0.379665D+02  0.749006D+01 -0.159941D+01  0.450976D+01
      2  -0.145972D+02  0.687966D+02 -0.986420D+01  0.924377D-01 -0.442482D+01
      3   0.575300D+01 -0.308301D+02  0.237414D+01  0.150697D+01 -0.849320D-01
      4   0.117025D+02 -0.100121D+02  0.729436D+00 -0.211285D+01  0.389040D+00
      5  -0.388027D+01  0.305290D+01 -0.843494D+00  0.268596D+01 -0.861991D+00
      6   0.452663D+01 -0.251693D+02  0.135499D+02 -0.298571D+01  0.121552D+02
               126           127           128           129           130 
      1  -0.592053D+01  0.228596D+02  0.345658D+01 -0.218131D+01  0.207185D+01
      2   0.549478D+01 -0.358843D+01  0.629791D+01  0.859509D+00  0.327377D+01
      3   0.425746D+00 -0.192712D+02 -0.975449D+01  0.132180D+01 -0.534561D+01
      4  -0.277527D+01  0.385548D+02  0.241662D+02 -0.138326D+02  0.150946D+02
      5   0.120615D+01 -0.232286D+02 -0.107105D+02  0.131966D+02 -0.530248D+01
      6  -0.369930D+01 -0.174270D+02 -0.119086D+02  0.134815D+02 -0.657211D+01
               131           132           133           134           135 
      1  -0.157321D+01  0.779058D+00 -0.298859D+01  0.949807D+00  0.116279D+01
      2   0.103834D+02 -0.362480D+01  0.241747D+01 -0.324509D+01 -0.423107D+01
      3  -0.881017D+01  0.284574D+01  0.571119D+00  0.229528D+01  0.306828D+01
      4   0.106056D+02 -0.546142D+01 -0.112596D+02 -0.698535D+01  0.845233D+01
      5  -0.494154D+01  0.360705D+01  0.133155D+02  0.542547D+01 -0.867413D+01
      6  -0.882834D+01  0.548568D+01  0.101725D+02  0.804393D+01 -0.833027D+01
               136           137           138           139           140 
      1  -0.129348D+01  0.156375D+01  0.419569D+00  0.265456D+01 -0.404067D+01
      2  -0.473724D+01 -0.150982D+01  0.557616D+01 -0.373278D+01  0.155441D+01
      3   0.603072D+01 -0.539286D-01 -0.599573D+01  0.107822D+01  0.248626D+01
      4  -0.134231D+01  0.547074D+01  0.443519D+01  0.136249D+01 -0.298806D+01
      5  -0.601743D+01  0.164743D+01  0.129732D+02 -0.291508D+01 -0.247220D+01
      6   0.239823D+01 -0.313132D+01 -0.344192D+01 -0.131507D+01  0.193716D+01
               141           142           143           144           145 
      1   0.326236D+00 -0.170654D+01 -0.652291D+01 -0.297262D+02  0.756414D+01
      2   0.753474D+01  0.668071D+01  0.114364D+01 -0.279963D+02  0.682422D+01
      3  -0.786097D+01 -0.497417D+01  0.537927D+01  0.577225D+02 -0.143884D+02
      4  -0.132702D+01  0.470227D+01 -0.376493D+01 -0.894541D+01 -0.207885D+02
      5   0.447278D+01  0.117171D+02 -0.370969D+01 -0.262794D+02 -0.491926D+01
      6   0.530222D+01 -0.480113D+01  0.106707D+02  0.261456D+02  0.468538D+01
               146           147           148           149           150 
      1   0.838333D+00  0.209948D+01 -0.202543D+00 -0.159925D+02 -0.224926D+01
      2  -0.149074D+02 -0.198156D+01 -0.131019D+02  0.432554D+02  0.159361D+01
      3   0.140690D+02 -0.117923D+00  0.133044D+02 -0.272629D+02  0.655658D+00
      4   0.271373D+02  0.431182D+01  0.220643D+02 -0.355703D+02 -0.324871D+01
      5   0.728760D+01  0.516095D+01  0.530047D+01 -0.524210D+01 -0.397611D+01
      6  -0.883346D+01 -0.528407D+01 -0.696617D+01  0.146628D+02  0.811971D+01
               151           152           153           154           155 
      1   0.322291D+01 -0.326637D+00 -0.478882D+01  0.768073D+01 -0.694950D+00
      2   0.103395D+01 -0.726570D+01  0.178903D+01 -0.904820D+00  0.702468D+01
      3  -0.425685D+01  0.759234D+01  0.299978D+01 -0.677591D+01 -0.632973D+01
      4  -0.486192D+01  0.578385D+01 -0.487825D+01  0.208637D+02  0.194805D+02
      5   0.125990D+01 -0.291178D+01 -0.163087D+01  0.182944D+02  0.110622D+02
      6  -0.248554D+01  0.535814D+01  0.262201D+01  0.141644D+02  0.123082D+02
               156           157           158           159           160 
      1   0.134216D+01 -0.184471D+01 -0.628947D+01 -0.433758D+01  0.106758D+01
      2  -0.155534D+01  0.674536D+01  0.135848D+02  0.540643D+01 -0.201332D+01
      3   0.213181D+00 -0.490066D+01 -0.729531D+01 -0.106885D+01  0.945745D+00
      4   0.140022D+02  0.158074D+02  0.158667D+02  0.100596D+02  0.127848D+02
      5   0.159370D+02  0.760279D+01  0.955125D+01  0.741874D+01  0.156075D+02
      6   0.126199D+02  0.999941D+01  0.142286D+02  0.154217D+02  0.122324D+02
               161           162           163           164           165 
      1  -0.525901D+01 -0.688361D+01  0.119218D+02 -0.239139D+01  0.196530D+01
      2   0.447695D+01 -0.587090D+00 -0.123867D+02  0.620938D+01 -0.105436D+02
      3   0.782067D+00  0.747070D+01  0.464909D+00 -0.381799D+01  0.857828D+01
      4   0.114154D+02  0.135512D+02  0.257044D+02  0.151775D+02  0.178290D+02
      5   0.101763D+02  0.170719D+02  0.267382D+02  0.914637D+01  0.230613D+02
      6   0.180049D+02  0.202454D+02  0.178060D+02  0.107304D+02  0.164760D+02
               166           167           168           169           170 
      1  -0.621081D+00 -0.604705D+00 -0.105702D+01  0.335312D+01 -0.263943D+01
      2   0.346691D+01  0.291634D+01  0.111818D+01 -0.978375D+01  0.167784D+00
      3  -0.284583D+01 -0.231163D+01 -0.611576D-01  0.643063D+01  0.247165D+01
      4   0.792757D+01  0.537660D+01  0.333760D+01  0.160022D+02  0.616697D+01
      5   0.269670D+01  0.385480D+01  0.153777D+01  0.200265D+02  0.562591D+01
      6   0.439311D+01  0.275647D+01  0.635569D+01  0.120380D+02  0.122466D+02
               171           172           173           174           175 
      1  -0.451119D+01 -0.717375D+00  0.106563D+00  0.839152D+00 -0.187042D+00
      2  -0.812238D+01  0.349319D+01  0.560835D+01 -0.381619D+01  0.544735D+01
      3   0.126336D+02 -0.277581D+01 -0.571491D+01  0.297704D+01 -0.526030D+01
      4   0.122618D+02  0.532297D+01  0.102036D+02 -0.159762D+01  0.100822D+02
      5   0.184978D+02  0.667172D+00  0.362021D+00  0.498355D+01  0.484283D+00
      6   0.172410D+02  0.614649D+00 -0.211299D+01  0.208957D+01 -0.206075D+01
               176           177           178           179           180 
      1  -0.170745D+02  0.536935D+01  0.351208D+00  0.113619D+02 -0.489142D+01
      2   0.436898D+02 -0.180366D+02 -0.473708D+01 -0.297615D+02  0.129202D+02
      3  -0.266153D+02  0.126673D+02  0.438587D+01  0.183996D+02 -0.802874D+01
      4   0.116271D+02 -0.541540D+01 -0.559001D+01 -0.979430D+01  0.474968D+01
      5  -0.309663D+01  0.238594D+01  0.314522D+01  0.285620D+01 -0.359941D+01
      6  -0.839688D+01  0.126269D+02  0.148151D+01  0.107629D+02 -0.155379D+02
               181           182           183           184           185 
      1  -0.407352D+01  0.119099D+02  0.117031D+02  0.619776D+01 -0.100744D+02
      2   0.453828D+00 -0.128414D+02 -0.257119D+01 -0.651341D+01  0.125975D+02
      3   0.361969D+01  0.931517D+00 -0.913193D+01  0.315654D+00 -0.252311D+01
      4  -0.178033D+02  0.111710D+02  0.126778D+02  0.884116D+01 -0.842827D+01
      5  -0.121810D+02  0.681899D+01  0.112334D+02  0.408575D+01 -0.591651D+01
      6   0.148286D+02 -0.162412D+02 -0.170110D+02 -0.909760D+01  0.110365D+02
               186           187           188           189           190 
      1  -0.742142D+01  0.812114D+01 -0.103955D+02 -0.145495D+02  0.721496D+01
      2   0.382577D+01 -0.232724D+01  0.535421D+01  0.108373D+01 -0.637620D+01
      3   0.359565D+01 -0.579390D+01  0.504129D+01  0.134658D+02 -0.838761D+00
      4  -0.685250D+01  0.121852D+02 -0.741360D+01 -0.784678D+01  0.410105D+01
      5  -0.360861D+01  0.109462D+02 -0.382426D+01 -0.741585D+01 -0.591923D+01
      6   0.131013D+02 -0.105464D+02  0.176310D+02  0.210688D+02 -0.138497D+01
               191           192           193           194           195 
      1   0.510352D+01 -0.401083D+01  0.115191D+02 -0.209611D+00 -0.162475D+01
      2  -0.343577D+01  0.535017D+01 -0.755534D+01  0.134417D+01  0.377193D+01
      3  -0.166775D+01 -0.133934D+01 -0.396375D+01 -0.113456D+01 -0.214718D+01
      4   0.385132D+01 -0.273771D+01  0.425357D+01  0.406254D+01 -0.750665D+01
      5  -0.385417D+01  0.135040D+02 -0.506468D+01 -0.734909D+01  0.124372D+02
      6  -0.791053D+00 -0.139993D+00 -0.115483D+00 -0.220299D+01  0.237061D+01
               196           197           198           199           200 
      1  -0.120938D+02 -0.137359D+00  0.574184D+01  0.746924D+01 -0.538390D+01
      2   0.914517D+01  0.322744D+01 -0.158381D+02 -0.215069D+00 -0.507829D+00
      3   0.294864D+01 -0.309008D+01  0.100963D+02 -0.725417D+01  0.589173D+01
      4  -0.117539D+01 -0.102700D+02  0.857810D+01 -0.847585D+01  0.145596D+02
      5   0.185167D+02  0.994181D+01 -0.325789D+02  0.769332D+00  0.327954D+01
      6  -0.141754D+01  0.391828D+01  0.126193D+01  0.153541D+01 -0.155409D+01
               201           202           203           204           205 
      1   0.140137D+01 -0.122406D+02 -0.389391D+01  0.371440D+00  0.177456D+01
      2  -0.109155D+01 -0.182912D+01  0.265449D+02  0.217021D+01 -0.141765D+01
      3  -0.309814D+00  0.140698D+02 -0.226510D+02 -0.254165D+01 -0.356911D+00
      4   0.280286D+01  0.253452D+02 -0.487946D+02 -0.775129D+01  0.354463D+01
      5   0.432522D+01  0.494755D+01 -0.690454D+01 -0.735869D+01  0.677832D+01
      6  -0.124909D+01 -0.289782D+01  0.898654D+01  0.823911D+01 -0.241516D+01
               206           207           208           209           210 
      1  -0.336523D+00  0.102044D+01  0.613029D+02  0.836617D+01  0.207697D+02
      2   0.247473D+01  0.352444D+00 -0.334559D+02 -0.505732D+01 -0.123790D+02
      3  -0.213821D+01 -0.137289D+01 -0.278470D+02 -0.330885D+01 -0.839063D+01
      4  -0.681223D+01 -0.446613D+01  0.391913D+01  0.103873D+02  0.159648D+01
      5  -0.472220D+01 -0.445388D+01  0.242033D+02  0.318831D+01  0.185748D+02
      6   0.720342D+01  0.291303D+01 -0.236585D+01  0.712522D+00 -0.183011D+01
               211           212           213           214           215 
      1   0.185116D+02  0.692681D+01  0.481725D+01  0.370385D+02  0.336557D+01
      2  -0.107164D+02 -0.145502D+01 -0.260176D+01 -0.213558D+02 -0.199207D+01
      3  -0.779517D+01 -0.547179D+01 -0.221549D+01 -0.156828D+02 -0.137349D+01
      4   0.122064D+02  0.237981D+01  0.360260D+01  0.148146D+01  0.706958D+01
      5   0.732118D+01  0.362508D+01  0.775920D+01  0.251480D+02  0.462220D+01
      6   0.108058D+01  0.194510D+01  0.197642D+01 -0.166792D+01  0.219254D+01
               216           217           218           219           220 
      1   0.154353D+02 -0.683718D+01 -0.504004D+01  0.145725D+02 -0.962516D+00
      2  -0.134934D+02 -0.579835D+01  0.159828D+01  0.443123D+01 -0.844489D+00
      3  -0.194193D+01  0.126355D+02  0.344176D+01 -0.190037D+02  0.180701D+01
      4   0.341959D+01  0.124933D+02  0.311241D+01 -0.662330D+01  0.312453D+01
      5   0.192668D+02 -0.207471D+02 -0.197373D+00  0.129677D+02  0.487338D+00
      6  -0.136523D+01 -0.482851D+01 -0.856911D+01  0.106275D+02 -0.405263D+01
               221           222           223           224           225 
      1  -0.275357D+01  0.583491D+00  0.899078D+01  0.144431D+01 -0.105068D+02
      2   0.432726D+01 -0.255667D+01  0.258793D+01 -0.112242D+01 -0.915540D+01
      3  -0.157370D+01  0.197318D+01 -0.115787D+02 -0.321889D+00  0.196622D+02
      4  -0.470685D+00 -0.117218D+01 -0.614019D+01 -0.196938D+01  0.462765D+01
      5  -0.263710D+01  0.306583D+01  0.140263D+02  0.183567D+01 -0.746740D+01
      6  -0.268349D+01  0.274424D+01  0.512328D+01  0.424654D+01 -0.629679D+01
               226           227           228           229           230 
      1   0.102471D+02  0.234930D+01  0.171760D+01  0.381621D+01 -0.668423D+00
      2  -0.210864D+02 -0.466920D+01 -0.218681D+02 -0.822121D+01 -0.305751D-01
      3   0.108393D+02  0.231990D+01  0.201505D+02  0.440500D+01  0.698998D+00
      4  -0.465958D+01  0.516437D+01 -0.538462D+01  0.285280D+01  0.265686D+00
      5   0.284749D+02  0.170416D+01  0.309261D+02  0.934431D+01  0.572752D+01
      6  -0.238821D+01  0.689785D+01 -0.393415D+01  0.441226D+01  0.194197D+01
               231           232           233           234           235 
      1  -0.180611D+01  0.263294D+01  0.432365D-01 -0.796974D+01 -0.208443D+00
      2  -0.100180D+02 -0.180290D+02 -0.364136D+01 -0.292098D+02  0.216107D+01
      3   0.118241D+02  0.153960D+02  0.359813D+01  0.371796D+02 -0.195262D+01
      4   0.217902D+01 -0.490608D+01  0.254777D+01 -0.312806D+01 -0.565927D+01
      5   0.106581D+02  0.260976D+02  0.274487D+01  0.320509D+02  0.290480D+01
      6   0.445954D+01 -0.229050D+01  0.630236D+01 -0.492490D+01 -0.373899D+01
               236           237           238           239           240 
      1  -0.642416D+00 -0.936901D-03 -0.492043D+00 -0.222935D+02  0.596735D+01
      2  -0.590410D+01 -0.196224D+01 -0.674600D+01  0.493398D+02 -0.135901D+01
      3   0.654651D+01  0.196318D+01  0.723804D+01 -0.270463D+02 -0.460834D+01
      4   0.112381D+02 -0.178806D+01  0.130150D+02 -0.251736D+02  0.329083D+01
      5  -0.370084D+01  0.582292D+01 -0.535947D+01  0.691495D+01 -0.368663D+01
      6   0.571215D+01 -0.143552D+01  0.648417D+01 -0.324517D+02  0.122974D+02
               241           242           243 
      1  -0.454157D+00  0.448788D+00 -0.144882D+01
      2  -0.227519D+01  0.462043D+01  0.180165D+01
      3   0.272934D+01 -0.506922D+01 -0.352832D+00
      4   0.118081D+01 -0.253992D+01 -0.141719D+01
      5   0.335154D+01 -0.374842D+00  0.109140D+01
      6  -0.317275D+00  0.449327D+01  0.275593D+00
 Leave Link  716 at Wed Mar 16 20:23:24 2022, MaxMem=  6442450944 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.144011D+03  0.177724D+01 -0.698588D+00
      2   0.177724D+01  0.137621D+03  0.221212D+01
      3  -0.698588D+00  0.221212D+01  0.133703D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.331321D+00 -0.540194D+01  0.233857D+01
      2   0.258015D+01 -0.544342D+01  0.247490D+02
      3   0.596042D+01 -0.199154D+02  0.660626D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.259525D+02 -0.163701D+02  0.133500D+02
      2  -0.170455D+02  0.727135D+01 -0.757190D+01
      3  -0.890702D+01  0.909878D+01 -0.577812D+01
      4  -0.184840D+02  0.391349D+02 -0.181440D+02
      5   0.101442D+02 -0.184312D+02  0.502783D+02
      6  -0.947753D+01 -0.141289D+02 -0.304536D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.263185D+01  0.234236D+01  0.836941D+01  0.145130D+01  0.359817D+01
      2   0.234236D+01  0.440003D+01  0.593226D+00  0.359817D+01 -0.881318D+01
      3   0.836941D+01  0.593226D+00  0.434134D+01 -0.603547D-02 -0.247142D+01
                 6             7             8             9            10 
      1  -0.603547D-02  0.103204D+02  0.915638D+00  0.294402D+01 -0.663454D+01
      2  -0.247142D+01  0.915638D+00 -0.217418D+01  0.608201D+01 -0.297841D+01
      3   0.455440D+01  0.294402D+01  0.608201D+01 -0.156951D+01 -0.628712D+01
                11            12            13            14            15 
      1  -0.297841D+01 -0.628712D+01 -0.396207D+01  0.118689D+01  0.302001D+01
      2   0.147231D+01  0.318468D+01  0.118689D+01  0.109416D+01  0.436037D+01
      3   0.318468D+01 -0.921723D+00  0.302001D+01  0.436037D+01 -0.572366D+01
                16            17            18            19            20 
      1  -0.657604D+01  0.296567D+01 -0.292836D+01  0.330907D+01 -0.562200D+00
      2   0.296567D+01  0.312064D+01 -0.410273D+01 -0.562200D+00 -0.212410D+01
      3  -0.292836D+01 -0.410273D+01 -0.277210D+01  0.630317D+01 -0.381824D+01
                21            22            23            24            25 
      1   0.630317D+01  0.105321D+01 -0.399319D+00 -0.556114D+01  0.389429D+01
      2  -0.381824D+01 -0.399319D+00  0.608798D+00 -0.323032D+01 -0.347869D+01
      3  -0.108175D+01 -0.556114D+01 -0.323032D+01  0.336917D+01 -0.322717D+00
                26            27            28            29            30 
      1  -0.347869D+01 -0.322717D+00 -0.556005D+01 -0.356803D+01  0.352693D+01
      2  -0.478497D+01  0.224337D+01 -0.356803D+01  0.555892D+01  0.129717D+01
      3   0.224337D+01  0.385266D+01  0.352693D+01  0.129717D+01 -0.305985D+00
                31            32            33            34            35 
      1  -0.121936D+01  0.429126D+01  0.149757D+01  0.265080D+01  0.139236D+01
      2   0.429126D+01 -0.505145D+01  0.293889D+01  0.139236D+01  0.215564D+01
      3   0.149757D+01  0.293889D+01  0.291529D+01 -0.145943D+00  0.203700D+01
                36            37            38            39            40 
      1  -0.145943D+00  0.122222D+01 -0.203268D+01 -0.608855D+01  0.317752D+00
      2   0.203700D+01 -0.203268D+01 -0.451801D+01 -0.228076D+01 -0.643756D+01
      3  -0.378690D+01 -0.608855D+01 -0.228076D+01 -0.246845D+01 -0.274769D+01
                41            42            43            44            45 
      1  -0.643756D+01 -0.274769D+01 -0.477084D+01 -0.238233D+01 -0.278251D+01
      2   0.722874D+01 -0.224304D+01 -0.238233D+01  0.495958D-02 -0.530100D+01
      3  -0.224304D+01 -0.364603D+01 -0.278251D+01 -0.530100D+01  0.272888D+01
                46            47            48            49            50 
      1   0.104520D+02  0.459928D+01  0.450914D+00  0.418629D+01 -0.154019D+01
      2   0.459928D+01 -0.624454D+01 -0.502669D+01 -0.154019D+01 -0.141460D+01
      3   0.450914D+00 -0.502669D+01 -0.388822D+01 -0.278715D+01 -0.157276D+01
                51            52            53            54            55 
      1  -0.278715D+01  0.547178D+00 -0.199134D+01  0.203594D+00 -0.200130D+01
      2  -0.157276D+01 -0.199134D+01 -0.715834D+00  0.659386D+00 -0.163037D+01
      3   0.223317D+00  0.203594D+00  0.659386D+00  0.270176D+01  0.178200D+01
                56            57            58            59            60 
      1  -0.163037D+01  0.178200D+01 -0.219839D+01  0.539947D+01  0.159503D+01
      2   0.674448D+01  0.210151D+01  0.539947D+01 -0.411788D+01  0.191916D+01
      3   0.210151D+01  0.208927D+01  0.159503D+01  0.191916D+01  0.279080D+01
                61            62            63            64            65 
      1   0.571538D+00 -0.591107D+00  0.180399D+01  0.222052D+01  0.303010D+01
      2  -0.591107D+00  0.253771D+01  0.100029D+01  0.303010D+01 -0.398179D+00
      3   0.180399D+01  0.100029D+01 -0.786937D+01  0.690141D+01 -0.184472D+01
                66            67            68            69            70 
      1   0.690141D+01  0.193342D+01 -0.103432D+01 -0.192987D+01  0.564385D+01
      2  -0.184472D+01 -0.103432D+01 -0.149052D+00 -0.425835D+01 -0.213818D+01
      3   0.126928D+01 -0.192987D+01 -0.425835D+01  0.346871D+01  0.126594D+01
                71            72            73            74            75 
      1  -0.213818D+01  0.126594D+01 -0.203326D+02 -0.418243D+01  0.140726D+01
      2  -0.438912D+01  0.450965D+01 -0.418243D+01 -0.591010D+00  0.170842D+01
      3   0.450965D+01  0.118281D+01  0.140726D+01  0.170842D+01 -0.516055D+00
                76            77            78            79            80 
      1  -0.446652D+01 -0.441176D+01  0.844466D+00  0.373510D+00  0.301276D+00
      2  -0.441176D+01 -0.243215D+01  0.107534D+01  0.301276D+00  0.182395D+00
      3   0.844466D+00  0.107534D+01 -0.305854D+00 -0.386835D+01 -0.111815D+01
                81            82            83            84            85 
      1  -0.386835D+01 -0.172543D+01 -0.255740D+01 -0.615581D+01 -0.339285D+01
      2  -0.111815D+01 -0.255740D+01 -0.199608D+01 -0.488262D+00 -0.347517D+01
      3  -0.190714D+00 -0.615581D+01 -0.488262D+00 -0.254762D+01 -0.555791D+00
                86            87            88            89            90 
      1  -0.347517D+01 -0.555791D+00 -0.744658D+01 -0.562567D+00 -0.361058D+01
      2   0.804082D+01  0.268334D+01 -0.562567D+00  0.237225D+01 -0.389094D+01
      3   0.268334D+01 -0.416821D+01 -0.361058D+01 -0.389094D+01  0.355236D+01
                91            92            93            94            95 
      1   0.278729D+01 -0.673742D+00 -0.720721D+01 -0.136753D+01 -0.260685D+01
      2  -0.673742D+00 -0.236067D+01 -0.918202D+00 -0.260685D+01  0.819119D+01
      3  -0.720721D+01 -0.918202D+00 -0.247231D+01 -0.122937D+01  0.152930D+01
                96            97            98            99           100 
      1  -0.122937D+01 -0.633322D+01 -0.125986D+01 -0.250289D+01  0.310077D+01
      2   0.152930D+01 -0.125986D+01  0.294767D+01 -0.399668D+01 -0.532265D+00
      3  -0.479178D+01 -0.250289D+01 -0.399668D+01 -0.565897D+00 -0.326795D+01
               101           102           103           104           105 
      1  -0.532265D+00 -0.326795D+01 -0.142871D+01  0.897197D+00  0.195975D+01
      2   0.156825D+01  0.104860D+01  0.897197D+00 -0.142108D+01 -0.125188D+01
      3   0.104860D+01  0.457726D+01  0.195975D+01 -0.125188D+01 -0.356291D+01
               106           107           108           109           110 
      1  -0.246728D+01  0.686554D+00  0.296448D+01 -0.600743D+01  0.132887D+01
      2   0.686554D+00 -0.104510D+01 -0.143925D+01  0.132887D+01 -0.172111D+01
      3   0.296448D+01 -0.143925D+01 -0.846351D+01 -0.478859D+01  0.171802D+01
               111           112           113           114           115 
      1  -0.478859D+01  0.112959D+01 -0.113109D+01  0.120215D+01 -0.267214D+01
      2   0.171802D+01 -0.113109D+01  0.119706D+01 -0.108964D+01  0.101281D+01
      3  -0.490113D+01  0.120215D+01 -0.108964D+01  0.104178D+01 -0.267267D+01
               116           117           118           119           120 
      1   0.101281D+01 -0.267267D+01 -0.119089D+01  0.269665D+01 -0.857923D+00
      2  -0.704760D+00  0.851979D+00  0.269665D+01 -0.517451D+01  0.915037D+00
      3   0.851979D+00 -0.486377D+01 -0.857923D+00  0.915037D+00 -0.108978D+01
               121           122           123           124           125 
      1   0.192044D+01 -0.258213D+01  0.345626D+00 -0.427052D+00 -0.768417D-02
      2  -0.258213D+01  0.113575D+02 -0.223162D+01 -0.768417D-02 -0.103092D+01
      3   0.345626D+00 -0.223162D+01  0.153711D+01 -0.471614D+00  0.122127D+01
               126           127           128           129           130 
      1  -0.471614D+00  0.878525D+01  0.368260D+01 -0.294947D+01  0.192447D+01
      2   0.122127D+01  0.368260D+01  0.302465D+01 -0.156915D+01  0.172382D+01
      3  -0.423456D+00 -0.294947D+01 -0.156915D+01  0.258427D+01 -0.924337D+00
               131           132           133           134           135 
      1   0.172382D+01 -0.924337D+00 -0.253782D+01 -0.120600D+01  0.194412D+01
      2   0.235492D+01 -0.106647D+01 -0.120600D+01 -0.132085D+01  0.857764D+00
      3  -0.106647D+01  0.471126D+00  0.194412D+01  0.857764D+00 -0.161003D+01
               136           137           138           139           140 
      1  -0.145345D+00  0.209728D+00  0.156019D+01 -0.458024D+00 -0.498125D+00
      2   0.209728D+00 -0.859946D+00 -0.586576D+00 -0.498125D+00  0.384388D+00
      3   0.156019D+01 -0.586576D+00 -0.181677D+01  0.284532D+00  0.975287D+00
               141           142           143           144           145 
      1   0.284532D+00  0.212043D+01 -0.162837D+00 -0.193085D+01 -0.356864D+01
      2   0.975287D+00 -0.162837D+00  0.177427D+01  0.125629D+01  0.352475D+01
      3  -0.139147D+01 -0.193085D+01  0.125629D+01  0.121295D+02  0.314703D+00
               146           147           148           149           150 
      1   0.352475D+01  0.314703D+00  0.369181D+01 -0.406563D+01 -0.575311D+00
      2  -0.488162D+01 -0.102279D+01 -0.406563D+01  0.953437D+01  0.541188D+00
      3  -0.102279D+01 -0.107072D+01 -0.575311D+00  0.541188D+00  0.123477D+01
               151           152           153           154           155 
      1  -0.115598D+01  0.883168D+00 -0.480508D+00  0.522693D+01  0.342318D+01
      2   0.883168D+00 -0.167682D+01  0.112260D+01  0.342318D+01  0.357955D+01
      3  -0.480508D+00  0.112260D+01  0.841789D+00  0.365801D+01  0.213296D+01
               156           157           158           159           160 
      1   0.365801D+01  0.202191D+01  0.296413D+01  0.133694D+01  0.343826D+01
      2   0.213296D+01  0.296413D+01  0.374178D+01  0.247983D+01  0.207029D+01
      3   0.330802D+01  0.133694D+01  0.247983D+01  0.250375D+01  0.319847D+01
               161           162           163           164           165 
      1   0.207029D+01  0.319847D+01 -0.645468D+01 -0.224108D+01 -0.441006D+01
      2   0.280090D+01  0.335208D+01 -0.224108D+01 -0.261617D+01 -0.147097D+01
      3   0.335208D+01  0.466768D+01 -0.441006D+01 -0.147097D+01 -0.411298D+01
               166           167           168           169           170 
      1  -0.620714D+00 -0.107159D+01 -0.190358D+00 -0.390933D+01 -0.951001D+00
      2  -0.107159D+01 -0.400293D+00 -0.383100D+00 -0.951001D+00 -0.102219D+01
      3  -0.190358D+00 -0.383100D+00 -0.413163D+00 -0.319155D+01 -0.191572D+01
               171           172           173           174           175 
      1  -0.319155D+01 -0.861853D+00 -0.140594D+01 -0.323389D-01 -0.117437D+01
      2  -0.191572D+01 -0.140594D+01 -0.120284D+01  0.628502D+00 -0.104049D+01
      3  -0.428514D+01 -0.323389D-01  0.628502D+00 -0.564623D+00  0.493948D+00
               176           177           178           179           180 
      1  -0.104049D+01  0.493948D+00  0.767399D+00  0.110470D+01 -0.459674D+00
      2  -0.710916D+01  0.290342D+01  0.110470D+01  0.565965D+01 -0.277936D+01
      3   0.290342D+01 -0.240116D+01 -0.459674D+00 -0.277936D+01  0.358904D+01
               181           182           183           184           185 
      1   0.401784D+01 -0.217371D+01 -0.298331D+01 -0.136490D+01  0.172922D+01
      2  -0.217371D+01  0.344378D+01  0.219706D+01  0.172922D+01 -0.230778D+01
      3  -0.298331D+01  0.219706D+01  0.315940D+01  0.120804D+01 -0.109126D+01
               186           187           188           189           190 
      1   0.120804D+01 -0.276726D+01  0.145242D+01  0.198013D+01  0.110363D+01
      2  -0.109126D+01  0.145242D+01 -0.200964D+01 -0.264855D+01  0.101689D+01
      3  -0.157754D+01  0.198013D+01 -0.264855D+01 -0.407048D+01 -0.108226D+01
               191           192           193           194           195 
      1   0.101689D+01 -0.108226D+01  0.208945D+01  0.561021D+00 -0.631783D+00
      2   0.402951D+00 -0.314876D+00  0.561021D+00  0.112495D+01 -0.180855D+01
      3  -0.314876D+00  0.165347D+01 -0.631783D+00 -0.180855D+01  0.260507D+01
               196           197           198           199           200 
      1  -0.256330D+01 -0.219290D+00  0.254857D+01  0.144472D+01 -0.139990D+01
      2  -0.219290D+00 -0.219356D+01  0.218583D+01 -0.139990D+01  0.148055D+01
      3   0.254857D+01  0.218583D+01 -0.676378D+01  0.100963D+00  0.318413D+00
               201           202           203           204           205 
      1   0.100963D+00 -0.350943D+01  0.369565D+01  0.772558D+00  0.174997D+00
      2   0.318413D+00  0.369565D+01 -0.987210D+01 -0.165453D+01  0.478955D+00
      3   0.465167D+00  0.772558D+00 -0.165453D+01 -0.137295D+01  0.942840D+00
               206           207           208           209           210 
      1   0.478955D+00  0.942840D+00  0.922367D+01  0.121717D+01  0.347449D+01
      2  -0.137587D+01 -0.976267D+00  0.121717D+01  0.130071D+01  0.382111D+00
      3  -0.976267D+00 -0.960947D+00  0.347449D+01  0.382111D+00  0.230789D+01
               211           212           213           214           215 
      1   0.327752D+01  0.184229D+01  0.100770D+01  0.682023D+01  0.573000D+00
      2   0.184229D+01  0.188284D+00  0.465845D+00  0.573000D+00  0.959189D+00
      3   0.100770D+01  0.465845D+00  0.127232D+01  0.338707D+01  0.852621D+00
               216           217           218           219           220 
      1   0.338707D+01 -0.623783D+01 -0.127031D-01  0.314437D+01  0.262711D+00
      2   0.852621D+00 -0.127031D-01 -0.163206D+01  0.118807D+01 -0.811731D+00
      3   0.278567D+01  0.314437D+01  0.118807D+01 -0.377672D+01  0.442244D+00
               221           222           223           224           225 
      1  -0.811731D+00  0.442244D+00  0.268973D+01  0.467100D+00 -0.202810D+01
      2  -0.697943D+00  0.322520D+00  0.467100D+00  0.449426D+00 -0.135614D+00
      3   0.322520D+00  0.374306D+00 -0.202810D+01 -0.135614D+00  0.341084D+01
               226           227           228           229           230 
      1   0.449651D+01  0.302848D+00  0.435957D+01  0.161789D+01  0.106788D+01
      2   0.302848D+00  0.142145D+01  0.108937D+00  0.106788D+01  0.800792D-01
      3   0.435957D+01  0.108937D+00  0.514024D+01  0.137518D+01  0.810372D+00
               231           232           233           234           235 
      1   0.137518D+01  0.346008D+01  0.296916D+00  0.390156D+01  0.698376D+00
      2   0.810372D+00  0.296916D+00  0.703786D+00  0.622024D+00 -0.142360D+01
      3   0.277124D+01  0.390156D+01  0.622024D+00  0.709804D+01  0.757193D+00
               236           237           238           239           240 
      1  -0.142360D+01  0.757193D+00 -0.171490D+01  0.214895D+01 -0.246883D+00
      2   0.192321D+01 -0.181479D+00  0.214895D+01 -0.113404D+02  0.134807D+01
      3  -0.181479D+00  0.639212D+00 -0.246883D+00  0.134807D+01 -0.177845D+01
               241           242           243 
      1   0.154124D+00  0.350043D+00  0.311515D+00
      2   0.350043D+00 -0.122468D+01 -0.549918D+00
      3   0.311515D+00 -0.549918D+00 -0.345444D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.225568D+01  0.142047D+01  0.233317D+01  0.324412D+01 -0.787224D+01
      2   0.129248D+02 -0.199179D+00  0.426240D+01  0.228157D+01 -0.585208D+01
      3   0.108221D+01 -0.843532D+01 -0.304407D+01  0.185842D+00  0.998276D+01
                 6             7             8             9            10 
      1  -0.390431D+01  0.587971D+01  0.429271D+01  0.256067D+01 -0.541163D+01
      2   0.399211D+01 -0.298699D+01  0.447906D+01 -0.379036D+01 -0.325931D+01
      3   0.396481D+01 -0.324607D+01  0.405104D+01 -0.489811D+01 -0.260874D+01
                11            12            13            14            15 
      1  -0.309325D+01  0.764054D+00  0.191127D+01  0.536806D+01 -0.144291D+02
      2  -0.440803D+01  0.133474D+01 -0.448735D+01 -0.239383D+00  0.177867D+01
      3  -0.286366D+01  0.551310D+01  0.915505D+01  0.243346D+00  0.127268D+01
                16            17            18            19            20 
      1  -0.772848D+01 -0.997788D+00 -0.264079D+01  0.576980D+01  0.561029D+01
      2  -0.819616D+01  0.508657D+01 -0.683474D+01  0.672219D+01 -0.158469D+01
      3   0.470915D+01  0.347289D+01 -0.107810D+00 -0.429130D+00 -0.543108D+01
                21            22            23            24            25 
      1   0.553069D+01 -0.113865D+01  0.266774D+01  0.795656D+01  0.639654D+01
      2   0.144324D+02 -0.111200D+01 -0.118099D+01 -0.103895D+02  0.502613D+01
      3   0.641413D+00  0.943628D-01 -0.140496D+00 -0.193271D+01  0.116980D+01
                26            27            28            29            30 
      1   0.129130D+02 -0.141511D+01 -0.681178D+01 -0.846205D+01 -0.142206D+01
      2  -0.970850D+01  0.109795D+01 -0.251792D+01 -0.234780D+01  0.617503D+01
      3  -0.220371D+01  0.648090D+00 -0.109551D+02 -0.158782D+02  0.780370D+01
                31            32            33            34            35 
      1  -0.748387D+01 -0.344675D+01 -0.138446D+02 -0.514476D+00 -0.700584D+01
      2  -0.306330D+00  0.631915D+01  0.410505D+01  0.920097D+00  0.303895D+01
      3  -0.447621D+01  0.155401D+02  0.665565D+00  0.665310D+01  0.213784D+01
                36            37            38            39            40 
      1   0.829716D+01  0.520707D+01  0.111866D+01  0.608972D+00  0.242671D+00
      2  -0.537074D+01 -0.773364D+01 -0.142632D+01  0.497884D+01 -0.182674D+01
      3  -0.206456D+01  0.697318D+01 -0.285235D+01 -0.517362D+01  0.724414D+01
                41            42            43            44            45 
      1   0.728868D+01  0.195827D+01 -0.999248D+00  0.105175D+02 -0.102667D+02
      2   0.244255D+01 -0.156600D+01 -0.288076D+01 -0.131850D+01  0.412300D+01
      3  -0.128668D+02 -0.197433D+01 -0.426349D+01 -0.256057D+01 -0.104727D+00
                46            47            48            49            50 
      1   0.396455D+01  0.181148D+01  0.544945D+01  0.438900D+01 -0.158374D+02
      2  -0.389817D+01  0.935674D+01 -0.286433D+01  0.787761D+01 -0.310390D+01
      3   0.583352D+00  0.149313D+01 -0.894135D+01  0.563609D+01  0.209546D+01
                51            52            53            54            55 
      1  -0.157928D+01  0.196683D+01  0.120309D+02  0.163061D+02 -0.655642D+01
      2  -0.762980D+00 -0.116569D+02  0.152346D+01  0.649382D+01  0.352856D+01
      3  -0.345257D+01 -0.910166D+01 -0.359995D+01  0.406988D+00 -0.694699D+01
                56            57            58            59            60 
      1   0.764893D+01 -0.236138D+01  0.620875D+01 -0.725189D+01 -0.780625D+01
      2   0.995217D+00 -0.522254D+01  0.110025D+01 -0.860514D+01 -0.279351D+01
      3   0.464299D+01  0.678792D+01  0.801394D+01  0.252115D+01  0.156958D+01
                61            62            63            64            65 
      1  -0.896062D+00  0.642850D+01  0.155795D+02  0.878384D+01 -0.198872D+01
      2  -0.101359D+02  0.161534D+00  0.931937D+01 -0.260938D+01  0.594443D+01
      3   0.478448D+01 -0.372504D+00  0.366445D+01 -0.247041D+01 -0.115162D+02
                66            67            68            69            70 
      1   0.490780D+01 -0.354133D+01 -0.940618D+01  0.106947D+02  0.416985D+01
      2   0.998994D+01  0.336036D+01  0.248770D+01 -0.494954D+01  0.342185D+01
      3  -0.163966D+02 -0.259975D+01  0.196005D+01  0.945528D+00 -0.132392D+02
                71            72            73            74            75 
      1   0.195781D+02 -0.305454D+01 -0.118932D+00 -0.478818D+00 -0.581993D+01
      2  -0.694352D+01  0.865433D+00  0.378094D+01  0.526712D+00  0.160037D+02
      3  -0.185214D+00 -0.368199D-01 -0.402547D+01 -0.172329D+02  0.221433D+00
                76            77            78            79            80 
      1  -0.311146D+01  0.328889D+01 -0.195373D+01  0.110535D+01 -0.145318D+01
      2  -0.224599D+01  0.292126D+01  0.407660D+01  0.499116D+01  0.437277D+00
      3  -0.333100D+01 -0.863998D+01  0.549482D+00  0.106057D+01  0.112548D+01
                81            82            83            84            85 
      1  -0.604411D+01 -0.320487D+01  0.550872D-02 -0.231102D+01 -0.275045D+00
      2  -0.204234D+01 -0.154043D+02 -0.895701D+00 -0.636163D+01 -0.243212D+01
      3  -0.304719D+01  0.715808D+01  0.531117D+01  0.420651D+01  0.156779D+02
                86            87            88            89            90 
      1   0.114154D+01 -0.572047D+01 -0.539859D+01 -0.743021D+00  0.394900D+01
      2   0.766178D+01 -0.105342D+02 -0.165568D+02 -0.918216D+01  0.114062D+02
      3  -0.197772D+02 -0.810008D+01  0.577231D+01 -0.719368D+01  0.126427D+02
                91            92            93            94            95 
      1  -0.110677D+02 -0.548434D+01 -0.451941D+01 -0.759470D+01  0.205783D+02
      2  -0.140432D+02 -0.892830D+00  0.164429D+02  0.164003D-01  0.615526D+01
      3  -0.413242D+01  0.143008D+00  0.114707D+02  0.574267D+01 -0.562678D+01
                96            97            98            99           100 
      1  -0.698173D+01 -0.493393D+01  0.344485D+01 -0.110502D+02  0.479152D+00
      2  -0.186774D+01  0.812391D+01 -0.239124D+01  0.366155D+01  0.785991D+01
      3   0.217856D-01  0.916905D+01 -0.203784D+01  0.653250D+01  0.125290D+01
               101           102           103           104           105 
      1  -0.582599D+01 -0.269875D+01 -0.399443D+00  0.450751D+01 -0.473886D+00
      2  -0.182598D+01 -0.402695D+01 -0.327908D+01  0.175108D+01  0.231087D+01
      3  -0.174187D+01 -0.119444D+01  0.865070D+00  0.299224D+00  0.249224D+00
               106           107           108           109           110 
      1  -0.202643D+01  0.619779D+01  0.369601D+01 -0.475307D+00  0.456773D+01
      2  -0.724739D+01  0.177098D+01  0.415018D+01 -0.135728D+02  0.186323D+01
      3  -0.411520D+00  0.175300D+01  0.823398D+00 -0.378059D+01 -0.217429D+01
               111           112           113           114           115 
      1  -0.382344D+00  0.118401D+01 -0.209475D+01 -0.568104D+00  0.957718D-01
      2  -0.541198D+01  0.300754D+01 -0.196574D+01  0.237204D+01 -0.672714D+01
      3  -0.211213D+01  0.194123D+01  0.285711D+00  0.761271D+00 -0.196720D+01
               116           117           118           119           120 
      1   0.217462D+01  0.545085D+00 -0.365186D+00  0.382407D+01  0.350658D+01
      2   0.184714D+01 -0.425717D+01 -0.233788D+01  0.281980D+01  0.939019D-02
      3  -0.668693D+00 -0.175085D+01 -0.596161D+01  0.780430D+01 -0.224121D+01
               121           122           123           124           125 
      1   0.224865D+01 -0.658924D+01 -0.535242D+01  0.103101D+01  0.322609D+00
      2   0.260303D+01 -0.421635D+01  0.558276D+00 -0.177930D+01  0.116575D+01
      3   0.953992D+01 -0.125539D+02  0.183088D+01 -0.117682D+01  0.732312D+00
               126           127           128           129           130 
      1  -0.712986D+00  0.350304D+01 -0.104728D+01 -0.575166D+01  0.329516D+00
      2  -0.196631D+00  0.770838D+01  0.182245D+01  0.218522D+01  0.102988D+01
      3  -0.212411D+01  0.181854D+02  0.178189D+01 -0.481068D+01  0.355244D+01
               131           132           133           134           135 
      1   0.673800D+00 -0.109625D+01 -0.312507D+01  0.164051D+01  0.217574D+01
      2   0.721485D+00  0.270046D+00 -0.267417D+01 -0.673700D+00 -0.332783D+00
      3   0.121236D+01 -0.130412D+01 -0.508724D+01 -0.879732D+00  0.367751D+01
               136           137           138           139           140 
      1  -0.152142D+01  0.393883D+00  0.313726D+01  0.357002D+00 -0.165332D+01
      2  -0.150690D+01  0.755573D+00  0.179069D+01  0.595040D+00 -0.148520D+00
      3   0.411445D+00 -0.249732D+01  0.751650D+00  0.338586D-02 -0.162882D+01
               141           142           143           144           145 
      1   0.465913D+01  0.327907D+01  0.168468D+01 -0.215430D+02  0.405984D+01
      2   0.278403D+01 -0.361375D+01 -0.149770D+01 -0.122547D+02  0.403518D+01
      3   0.114716D+01  0.302999D+01  0.236225D+01 -0.311056D+01 -0.142231D+01
               146           147           148           149           150 
      1  -0.814685D+01  0.138389D+00 -0.506321D+01  0.137198D+02 -0.278967D+01
      2  -0.420290D+01  0.273026D+01 -0.471457D+01  0.665641D+01 -0.124059D+01
      3  -0.284035D+01 -0.107885D+01  0.475636D+01  0.533906D+01 -0.418193D+00
               151           152           153           154           155 
      1   0.157525D+01 -0.400653D+01  0.503096D+00 -0.246586D+01  0.141401D+01
      2   0.110306D+01 -0.224239D+01  0.663570D+00 -0.226695D+01 -0.653792D+00
      3  -0.140572D+01 -0.139613D+01  0.344522D+00  0.624999D+01 -0.528390D+00
               156           157           158           159           160 
      1  -0.435817D+01 -0.607505D+00 -0.206738D+00 -0.476149D+01 -0.224804D+01
      2   0.225458D+01 -0.179050D+01 -0.293609D+00  0.166216D+01 -0.249804D+01
      3   0.345610D+01  0.371273D+01  0.783499D+00  0.723500D+00  0.464221D+01
               161           162           163           164           165 
      1   0.358686D+00 -0.478102D+01 -0.542701D+01  0.182245D+01 -0.709076D+01
      2   0.128990D+01  0.265889D+01 -0.663779D+01 -0.118583D+01  0.230611D+00
      3  -0.721579D+00  0.169561D+01  0.134087D+02 -0.368743D+00  0.797000D+01
               166           167           168           169           170 
      1   0.146886D+00 -0.621054D-01 -0.171611D+01 -0.537689D+01 -0.214853D+00
      2  -0.643460D+00 -0.115115D+01  0.826129D-01 -0.448465D+01 -0.736171D-01
      3   0.170332D+01  0.165400D+01  0.731656D+00  0.819531D+01  0.300561D+00
               171           172           173           174           175 
      1  -0.618335D+01  0.147960D+01  0.252577D+01 -0.160731D+01  0.251383D+01
      2  -0.616907D-01 -0.625190D+00 -0.202467D+01  0.131543D+01 -0.711593D+00
      3   0.565821D+01  0.101863D+01  0.100865D+01  0.140782D+00  0.448453D+01
               176           177           178           179           180 
      1   0.137630D+02 -0.121316D+02 -0.142793D+01 -0.111327D+02  0.137345D+02
      2  -0.329469D+01  0.264589D+01 -0.476306D+00  0.329843D+01 -0.394350D+01
      3  -0.252492D+01  0.811572D+00 -0.284432D+01  0.178845D+01 -0.129048D+01
               181           182           183           184           185 
      1  -0.330546D+01 -0.186126D+01  0.468885D+01  0.495191D+00  0.732599D+00
      2   0.873290D+01 -0.363399D+01 -0.345132D+01 -0.269340D+01  0.236693D+01
      3  -0.118916D+02  0.392176D+01  0.700786D+01  0.522725D+01 -0.360656D+01
               186           187           188           189           190 
      1  -0.352306D+01  0.216599D+01 -0.464038D+00 -0.479085D+01 -0.114868D+01
      2   0.160414D+01 -0.631570D+01  0.298760D+01  0.352597D+01 -0.224361D+01
      3  -0.290503D+01  0.732063D+01 -0.258634D+01 -0.522264D+01 -0.272094D+01
               191           192           193           194           195 
      1  -0.730218D+00  0.698702D+00 -0.870928D-01 -0.279501D+01  0.162629D+01
      2  -0.301208D+00  0.419755D+01  0.526691D+00 -0.536709D+01  0.826716D+01
      3  -0.208721D+01  0.157381D+01 -0.423833D+00 -0.514165D+01  0.594075D+01
               196           197           198           199           200 
      1   0.109933D+01  0.539902D+01 -0.448708D+01  0.384969D+00 -0.608417D+00
      2   0.134028D+01  0.720089D+01 -0.193604D+02  0.370423D+00  0.320484D+00
      3   0.784381D+00  0.782453D+01 -0.783566D+01  0.286938D+01 -0.411139D+01
               201           202           203           204           205 
      1   0.662594D+00  0.106835D+00  0.158012D+01 -0.404552D+01  0.440336D+00
      2   0.205772D+01  0.958113D+00 -0.428771D+01 -0.490339D+01  0.108773D+01
      3  -0.801171D+00 -0.287526D+01  0.250282D+02  0.401795D+01 -0.874143D+00
               206           207           208           209           210 
      1   0.853162D+00 -0.884001D+00  0.231683D+01  0.114824D+01  0.110550D+01
      2  -0.211935D+01 -0.259215D+01  0.958047D+01  0.187989D+01  0.102643D+02
      3   0.407183D+01  0.190265D+01 -0.813640D+01 -0.713201D+01 -0.341645D+01
               211           212           213           214           215 
      1   0.977617D+00  0.822412D+00 -0.282077D+00  0.264857D+01  0.201800D+01
      2   0.265418D+01  0.121754D+01  0.429148D+01  0.698089D+01  0.240616D+01
      3  -0.465508D+01 -0.212045D+01 -0.155625D+01 -0.499109D+01 -0.445846D+01
               216           217           218           219           220 
      1   0.107284D+01  0.529942D+01 -0.401002D+01 -0.271495D+01 -0.194428D+01
      2   0.903981D+01  0.188674D+02 -0.561215D+00 -0.635592D+01 -0.804778D+00
      3  -0.422340D+01  0.995773D+01 -0.213574D+01 -0.435646D+01  0.630245D+00
               221           222           223           224           225 
      1  -0.871560D-01  0.143947D+00 -0.229764D+01  0.218122D+01  0.349290D+01
      2   0.237142D+01 -0.427855D+00 -0.926846D+01 -0.637520D+00  0.528608D+01
      3   0.149432D+01 -0.836296D+00 -0.413216D+01  0.312743D+00  0.262379D+01
               226           227           228           229           230 
      1   0.605000D+01  0.493551D+01  0.631407D+01  0.343811D+01  0.186829D+01
      2  -0.578115D+01 -0.107891D+01 -0.697869D+00 -0.242036D+01 -0.988800D+00
      3  -0.483313D+01 -0.393867D+01 -0.470846D+01 -0.168340D+01 -0.161332D+01
               231           232           233           234           235 
      1   0.350354D+01  0.526419D+01  0.505377D+01  0.949618D+01 -0.167352D+01
      2   0.671445D+00 -0.678659D+01 -0.451250D-01  0.126742D+00 -0.254642D-01
      3  -0.208742D+01 -0.452129D+01 -0.240015D+01 -0.513207D+01  0.273008D+00
               236           237           238           239           240 
      1   0.349020D+01  0.119167D+01  0.380562D+01 -0.218055D+02 -0.443531D+01
      2   0.204590D+01  0.589385D+00  0.345761D+01 -0.237742D+01 -0.203735D+01
      3  -0.115307D+01 -0.379325D+00  0.389101D+01  0.869092D+01 -0.984380D+00
               241           242           243 
      1   0.745773D+00 -0.225984D+01 -0.244514D+01
      2  -0.723085D+00 -0.749649D+00 -0.103333D+01
      3  -0.290933D-01  0.133161D+01  0.328618D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.149385D+02  0.515659D+01  0.191993D+02  0.703874D+01  0.102125D+02
      2  -0.254997D+00 -0.379928D+01 -0.120024D+02 -0.557885D+01 -0.203880D+01
      3   0.151935D+02 -0.135731D+01 -0.719694D+01 -0.145989D+01 -0.817372D+01
      4   0.785311D-01  0.547164D+01 -0.664967D+01  0.713354D+01 -0.162068D+02
      5   0.169342D+02 -0.134279D+01  0.100939D+02  0.131642D+01  0.523642D+00
      6  -0.993416D+01  0.296165D+01 -0.162820D+01  0.426937D+01 -0.649937D+01
                 6             7             8             9            10 
      1  -0.577831D+01  0.236325D+02 -0.366277D+01  0.129779D+02  0.202641D+01
      2  -0.478059D+01 -0.126975D+02 -0.228032D+01 -0.571700D+01 -0.158577D+01
      3   0.105589D+02 -0.109350D+02  0.594309D+01 -0.726095D+01 -0.440638D+00
      4  -0.671006D+00 -0.561817D+01  0.328738D-01  0.282820D+01  0.779793D+01
      5   0.800825D+01  0.128620D+02  0.691847D+01 -0.227790D+01 -0.321403D+01
      6  -0.525079D+01 -0.211437D+01 -0.591043D+01  0.410661D+01  0.901321D+01
                11            12            13            14            15 
      1   0.624796D+01  0.160837D+01  0.100118D+02 -0.834799D+00 -0.174145D+02
      2  -0.232992D+01  0.535913D+01  0.397445D+00  0.928432D+01 -0.425959D+01
      3  -0.391804D+01 -0.696750D+01 -0.104092D+02 -0.844952D+01  0.216741D+02
      4   0.345232D+01  0.368306D+01  0.210128D+00  0.238703D+01 -0.167915D+01
      5  -0.269536D+01  0.502022D+01 -0.320191D+01 -0.248192D+01 -0.550673D+01
      6  -0.211301D+01  0.131203D+01 -0.709865D+00  0.389205D+01 -0.518908D+01
                16            17            18            19            20 
      1  -0.198281D+02 -0.885902D+01 -0.251426D+01  0.882950D+01 -0.339720D+01
      2   0.766528D+01 -0.431803D+01  0.500752D+00  0.160868D+02 -0.147084D+02
      3   0.121628D+02  0.131770D+02  0.201351D+01 -0.249163D+02  0.181056D+02
      4   0.845588D+01 -0.582900D+01  0.328317D+01  0.537236D+01 -0.355015D+01
      5   0.225873D+01 -0.273884D+00  0.592877D-01 -0.123793D+02  0.378428D+01
      6  -0.151504D+00  0.369759D+00  0.137237D+02  0.558894D+01 -0.827259D+00
                21            22            23            24            25 
      1  -0.117076D+02 -0.151838D+02 -0.748684D+01  0.181570D+02 -0.238202D+01
      2  -0.612095D+01 -0.929205D+01 -0.799193D+01  0.106230D+01 -0.780035D+01
      3   0.178285D+02  0.244758D+02  0.154788D+02 -0.192193D+02  0.101824D+02
      4   0.413726D+01 -0.343793D+01 -0.430952D+01 -0.268765D+01  0.191254D+01
      5  -0.277462D+02  0.765343D+01  0.342916D+01  0.146548D+02 -0.191199D+02
      6   0.127643D+02 -0.362865D+01 -0.505754D+01  0.772959D+01  0.100223D+02
                26            27            28            29            30 
      1   0.840216D+01  0.490753D+01 -0.654891D+01 -0.199581D+02  0.791527D+01
      2   0.153003D+01  0.166347D+02 -0.861623D+01  0.318528D+02  0.147950D+01
      3  -0.993219D+01 -0.215423D+02  0.151651D+02 -0.118947D+02 -0.939477D+01
      4  -0.233432D+01  0.495753D+01 -0.240119D+02 -0.160306D+02  0.163191D+02
      5   0.103277D+02  0.446528D+01  0.153403D+02  0.103356D+02 -0.351128D+01
      6   0.590050D+01 -0.618642D+01  0.197893D+02 -0.176216D+01 -0.670245D+01
                31            32            33            34            35 
      1  -0.125889D+02  0.204062D+02 -0.630303D-01  0.634596D+01  0.155751D+01
      2   0.220600D+02 -0.301264D+02  0.121307D+02  0.518459D+00  0.929410D+01
      3  -0.947102D+01  0.972021D+01 -0.120677D+02 -0.686442D+01 -0.108516D+02
      4  -0.494907D+01  0.155138D+02  0.275233D+01  0.133095D+02  0.391842D+01
      5   0.371833D+01 -0.429433D+01  0.175583D+00 -0.599320D+01  0.689989D+00
      6  -0.183732D+01  0.118219D+02  0.209944D+01 -0.417009D+01  0.275012D+01
                36            37            38            39            40 
      1  -0.979283D+01  0.953435D-01  0.404197D+01 -0.116344D+01  0.354819D+01
      2   0.769010D+01  0.254434D+01 -0.109632D+02 -0.404419D+01 -0.748417D+01
      3   0.210273D+01 -0.263968D+01  0.692119D+01  0.520762D+01  0.393598D+01
      4   0.350420D+01  0.435119D+00 -0.101414D+02 -0.155872D+02 -0.907275D+01
      5  -0.174504D+01 -0.759040D+01 -0.114121D+02 -0.129809D+02 -0.598386D+01
      6  -0.121197D+02 -0.168852D+02 -0.140976D+02 -0.447622D+01 -0.106796D+02
                41            42            43            44            45 
      1  -0.107691D+02 -0.577646D+00 -0.382981D+01 -0.126408D+01  0.369046D+01
      2   0.144730D+02 -0.136222D+01  0.988638D+00 -0.460806D+00 -0.103081D+02
      3  -0.370391D+01  0.193987D+01  0.284118D+01  0.172489D+01  0.661768D+01
      4  -0.390652D+01 -0.706895D+01 -0.117276D+02 -0.629961D+01 -0.154582D+02
      5  -0.722264D+01 -0.945318D+01 -0.105938D+02 -0.126184D+02 -0.785574D+01
      6   0.926265D+00 -0.112601D+02 -0.874674D+01 -0.150913D+02  0.300253D+01
                46            47            48            49            50 
      1  -0.716678D+02 -0.887112D+01  0.427250D+01 -0.242066D+02  0.280656D+01
      2   0.342807D+02 -0.301107D+01 -0.487396D+01  0.112006D+02 -0.616207D+01
      3   0.373871D+02  0.118822D+02  0.601456D+00  0.130060D+02  0.335550D+01
      4  -0.186346D+02 -0.122459D+02  0.372478D+01 -0.950089D+00 -0.561094D+01
      5   0.683544D+01  0.633441D+01 -0.126020D+02  0.396208D+01  0.665036D+00
      6   0.783086D+00  0.120418D+01 -0.821072D+01  0.380131D+01 -0.695368D+01
                51            52            53            54            55 
      1   0.171645D+02  0.158290D+01  0.140335D+02  0.530509D+00  0.323352D+01
      2  -0.514977D+00  0.207287D+01 -0.834890D+01 -0.224248D+01 -0.912375D+01
      3  -0.166495D+02 -0.365577D+01 -0.568465D+01  0.171197D+01  0.589024D+01
      4   0.270211D+01 -0.972247D+00  0.537890D+01 -0.364372D+01  0.374153D+01
      5  -0.678584D+01  0.474647D+01 -0.128133D+01 -0.146670D+00 -0.208723D+01
      6  -0.508674D+01 -0.769353D+00 -0.330593D+00 -0.854814D+01  0.522651D+01
                56            57            58            59            60 
      1  -0.931067D+01 -0.900021D+01  0.209600D+01 -0.244784D+01 -0.116216D+02
      2   0.219968D+02  0.233600D+01  0.123007D+02 -0.154753D+02 -0.709346D+00
      3  -0.126861D+02  0.666421D+01 -0.143967D+02  0.179231D+02  0.123310D+02
      4  -0.183194D+02  0.146587D+00 -0.109445D+02  0.235943D+02 -0.160526D+01
      5  -0.232449D+01 -0.719346D+00 -0.151276D-01  0.416939D+01 -0.695645D-01
      6   0.126823D+02  0.439757D+01  0.516510D+01  0.167157D+01  0.117859D+02
                61            62            63            64            65 
      1   0.317355D+01 -0.404911D+01  0.137613D+02  0.750407D+01 -0.752649D+01
      2  -0.751030D+01  0.110470D+02  0.208770D+02  0.561930D+01  0.325177D+01
      3   0.433675D+01 -0.699787D+01 -0.346383D+02 -0.131234D+02  0.427472D+01
      4   0.430219D+01 -0.453233D+01  0.847278D+01 -0.732653D+01 -0.125493D+02
      5   0.945745D+00  0.134141D+01  0.185303D+02 -0.122161D+02 -0.108396D+02
      6   0.214477D+01  0.734011D+01 -0.118795D+02 -0.280010D+02  0.100468D+02
                66            67            68            69            70 
      1  -0.131599D+02 -0.758969D+01 -0.112438D+01 -0.271641D+01 -0.112765D+02
      2   0.155346D+02  0.183075D+01 -0.843642D+01  0.236155D+02  0.144120D+02
      3  -0.237472D+01  0.575894D+01  0.956080D+01 -0.208991D+02 -0.313550D+01
      4  -0.252509D+02 -0.993120D+01  0.174711D+01  0.118339D+02 -0.227058D+02
      5  -0.239692D+02 -0.633887D+01  0.963278D+01  0.339548D+00 -0.206520D+02
      6  -0.818608D+00  0.985964D+01  0.178620D+02 -0.951981D+01 -0.355715D+00
                71            72            73            74            75 
      1  -0.725398D+01  0.477766D+01  0.132934D+03  0.175239D+02 -0.493506D+01
      2   0.279097D+02 -0.102642D+02 -0.641496D+02 -0.399953D+01  0.361336D+01
      3  -0.206557D+02  0.548651D+01 -0.687847D+02 -0.135243D+02  0.132170D+01
      4   0.128286D+02 -0.618027D+01  0.240715D+02  0.281394D+02 -0.226153D+01
      5  -0.127477D+01 -0.196962D+01 -0.965481D+01 -0.325636D+01  0.254717D+02
      6  -0.139865D+02 -0.894871D+01 -0.610180D+01 -0.341259D+01  0.530948D+01
                76            77            78            79            80 
      1   0.215576D+02  0.161896D+02 -0.420259D+01  0.281270D+01 -0.321973D+01
      2  -0.928749D+01 -0.708672D+00  0.203444D+01  0.186687D+01  0.139559D+01
      3  -0.122701D+02 -0.154810D+02  0.216814D+01 -0.467957D+01  0.182414D+01
      4   0.307976D+02  0.163772D+02 -0.400760D+01 -0.425613D+01 -0.271340D+01
      5  -0.624274D+01 -0.476975D+01  0.737192D+01  0.257250D+02  0.588091D+01
      6  -0.441947D+01 -0.255272D+01  0.748209D+01  0.320448D+01  0.572170D+01
                81            82            83            84            85 
      1   0.122351D+02 -0.680802D+01 -0.158223D+02 -0.335098D+02 -0.233151D+02
      2  -0.125585D+02  0.683059D+01  0.118022D+02  0.173181D+02  0.195818D+02
      3   0.323397D+00 -0.225669D-01  0.402012D+01  0.161917D+02  0.373334D+01
      4   0.495685D+01 -0.140248D+02 -0.911659D+01  0.155832D+01 -0.144978D+02
      5  -0.567908D+01 -0.335929D+02 -0.161673D+01 -0.153345D+02 -0.580007D+01
      6  -0.798539D+00  0.581193D+01  0.138946D+01  0.125309D+01  0.193656D+01
                86            87            88            89            90 
      1  -0.181750D+01 -0.461658D+00 -0.400835D+02 -0.700905D+00 -0.192099D+02
      2  -0.133896D+02 -0.357652D+01  0.203661D+02 -0.407209D+01  0.152516D+02
      3   0.152071D+02  0.403818D+01  0.197174D+02  0.477299D+01  0.395829D+01
      4   0.371962D+02  0.101629D+02 -0.149051D+01  0.939832D+01 -0.133182D+02
      5   0.101231D+02 -0.168233D+02 -0.221214D+02 -0.155367D+02  0.132109D+02
      6  -0.760928D+01  0.194453D+01  0.133064D+01  0.212191D+01 -0.179210D+01
                91            92            93            94            95 
      1   0.153305D+02 -0.275246D+01 -0.128905D+02 -0.545758D+01  0.539206D+01
      2   0.148244D+02  0.114710D+02  0.183091D+02  0.152891D+02 -0.331376D+02
      3  -0.301549D+02 -0.871855D+01 -0.541859D+01 -0.983151D+01  0.277456D+02
      4  -0.791299D+01 -0.300437D+01  0.922834D+01 -0.377659D+01  0.206634D+02
      5  -0.499249D+01 -0.314167D+01 -0.306855D+02 -0.655027D+01 -0.416974D+01
      6   0.696245D+01 -0.349217D+01 -0.501170D+01 -0.576786D+01  0.170649D+02
                96            97            98            99           100 
      1   0.701884D+01 -0.111294D+02  0.841050D+01 -0.121863D+02 -0.237985D+01
      2   0.999296D+01  0.182171D+02  0.157320D+01  0.189426D+02 -0.121036D+02
      3  -0.170118D+02 -0.708772D+01 -0.998370D+01 -0.675626D+01  0.144835D+02
      4   0.213321D+01  0.834863D+01  0.553647D+01 -0.361516D+01 -0.177335D+01
      5  -0.135173D+02 -0.292521D+02 -0.965186D+01 -0.129485D+02 -0.132062D+02
      6   0.105459D+02 -0.187374D+01  0.119667D+02 -0.126195D+02 -0.487680D-01
               101           102           103           104           105 
      1  -0.258565D+00  0.988543D+01  0.404619D+01 -0.383621D+01 -0.106915D+02
      2   0.551316D+01  0.151761D+02  0.445731D+01 -0.172332D+01 -0.854002D+01
      3  -0.525460D+01 -0.250615D+02 -0.850350D+01  0.555954D+01  0.192315D+02
      4   0.289821D+01 -0.341140D-01  0.213714D+01 -0.145160D+01 -0.129832D+01
      5   0.308163D+01  0.192415D+02  0.366934D+01 -0.464364D+01 -0.605729D+01
      6  -0.580948D+01 -0.157963D+01 -0.305388D+01  0.655546D+01  0.746427D+01
               106           107           108           109           110 
      1   0.584685D+01 -0.332349D+01 -0.219418D+02  0.463739D+01  0.255331D+01
      2   0.101437D+02 -0.469650D+01 -0.278973D+02 -0.156742D+02  0.123337D+01
      3  -0.159906D+02  0.801999D+01  0.498391D+02  0.110368D+02 -0.378668D+01
      4  -0.883604D-01 -0.185283D+01 -0.172213D+01 -0.114612D+02  0.717849D+01
      5   0.154131D+02 -0.458824D+01 -0.181203D+02  0.286867D+02 -0.607244D+01
      6  -0.147004D+01  0.718697D+01  0.206828D+01 -0.935461D+01  0.933439D+01
               111           112           113           114           115 
      1  -0.338993D+01  0.179366D+01 -0.192965D+01  0.250411D+01 -0.210964D+01
      2  -0.132061D+02  0.181912D+01  0.207909D+01  0.497061D+00 -0.779595D+01
      3   0.165961D+02 -0.361278D+01 -0.149440D+00 -0.300118D+01  0.990559D+01
      4  -0.866195D+01  0.761318D+01 -0.296297D+01  0.427108D+01 -0.530507D+01
      5   0.259086D+02 -0.593514D+01  0.487213D+01 -0.620596D+01  0.171706D+02
      6  -0.113753D+02  0.654759D+01 -0.667186D+01  0.890708D+01 -0.739384D+01
               116           117           118           119           120 
      1   0.194860D+01 -0.853441D+01 -0.336306D+01  0.152014D+02 -0.469274D+01
      2  -0.599305D-01 -0.148525D+02  0.109312D+02 -0.274004D+02  0.313910D+01
      3  -0.188867D+01  0.233869D+02 -0.756811D+01  0.121989D+02  0.155364D+01
      4   0.264495D+01 -0.624831D+01 -0.680501D+01  0.143191D+02 -0.383149D+01
      5  -0.497967D+01  0.166934D+02  0.139865D+01 -0.465604D+01  0.284895D+01
      6   0.635247D+01 -0.941540D+01 -0.674911D+01  0.106762D+02 -0.620225D+01
               121           122           123           124           125 
      1   0.884422D+01 -0.379665D+02  0.749006D+01 -0.159941D+01  0.450976D+01
      2  -0.145972D+02  0.687966D+02 -0.986420D+01  0.924377D-01 -0.442482D+01
      3   0.575300D+01 -0.308301D+02  0.237414D+01  0.150697D+01 -0.849320D-01
      4   0.117025D+02 -0.100121D+02  0.729436D+00 -0.211285D+01  0.389040D+00
      5  -0.388027D+01  0.305290D+01 -0.843494D+00  0.268596D+01 -0.861991D+00
      6   0.452663D+01 -0.251693D+02  0.135499D+02 -0.298571D+01  0.121552D+02
               126           127           128           129           130 
      1  -0.592053D+01  0.228596D+02  0.345658D+01 -0.218131D+01  0.207185D+01
      2   0.549478D+01 -0.358843D+01  0.629791D+01  0.859509D+00  0.327377D+01
      3   0.425746D+00 -0.192712D+02 -0.975449D+01  0.132180D+01 -0.534561D+01
      4  -0.277527D+01  0.385548D+02  0.241662D+02 -0.138326D+02  0.150946D+02
      5   0.120615D+01 -0.232286D+02 -0.107105D+02  0.131966D+02 -0.530248D+01
      6  -0.369930D+01 -0.174270D+02 -0.119086D+02  0.134815D+02 -0.657211D+01
               131           132           133           134           135 
      1  -0.157321D+01  0.779058D+00 -0.298859D+01  0.949807D+00  0.116279D+01
      2   0.103834D+02 -0.362480D+01  0.241747D+01 -0.324509D+01 -0.423107D+01
      3  -0.881017D+01  0.284574D+01  0.571119D+00  0.229528D+01  0.306828D+01
      4   0.106056D+02 -0.546142D+01 -0.112596D+02 -0.698535D+01  0.845233D+01
      5  -0.494154D+01  0.360705D+01  0.133155D+02  0.542547D+01 -0.867413D+01
      6  -0.882834D+01  0.548568D+01  0.101725D+02  0.804393D+01 -0.833027D+01
               136           137           138           139           140 
      1  -0.129348D+01  0.156375D+01  0.419569D+00  0.265456D+01 -0.404067D+01
      2  -0.473724D+01 -0.150982D+01  0.557616D+01 -0.373278D+01  0.155441D+01
      3   0.603072D+01 -0.539286D-01 -0.599573D+01  0.107822D+01  0.248626D+01
      4  -0.134231D+01  0.547074D+01  0.443519D+01  0.136249D+01 -0.298806D+01
      5  -0.601743D+01  0.164743D+01  0.129732D+02 -0.291508D+01 -0.247220D+01
      6   0.239823D+01 -0.313132D+01 -0.344192D+01 -0.131507D+01  0.193716D+01
               141           142           143           144           145 
      1   0.326236D+00 -0.170654D+01 -0.652291D+01 -0.297262D+02  0.756414D+01
      2   0.753474D+01  0.668071D+01  0.114364D+01 -0.279963D+02  0.682422D+01
      3  -0.786097D+01 -0.497417D+01  0.537927D+01  0.577225D+02 -0.143884D+02
      4  -0.132702D+01  0.470227D+01 -0.376493D+01 -0.894541D+01 -0.207885D+02
      5   0.447278D+01  0.117171D+02 -0.370969D+01 -0.262794D+02 -0.491926D+01
      6   0.530222D+01 -0.480113D+01  0.106707D+02  0.261456D+02  0.468538D+01
               146           147           148           149           150 
      1   0.838333D+00  0.209948D+01 -0.202543D+00 -0.159925D+02 -0.224926D+01
      2  -0.149074D+02 -0.198156D+01 -0.131019D+02  0.432554D+02  0.159361D+01
      3   0.140690D+02 -0.117923D+00  0.133044D+02 -0.272629D+02  0.655658D+00
      4   0.271373D+02  0.431182D+01  0.220643D+02 -0.355703D+02 -0.324871D+01
      5   0.728760D+01  0.516095D+01  0.530047D+01 -0.524210D+01 -0.397611D+01
      6  -0.883346D+01 -0.528407D+01 -0.696617D+01  0.146628D+02  0.811971D+01
               151           152           153           154           155 
      1   0.322291D+01 -0.326637D+00 -0.478882D+01  0.768073D+01 -0.694950D+00
      2   0.103395D+01 -0.726570D+01  0.178903D+01 -0.904820D+00  0.702468D+01
      3  -0.425685D+01  0.759234D+01  0.299978D+01 -0.677591D+01 -0.632973D+01
      4  -0.486192D+01  0.578385D+01 -0.487825D+01  0.208637D+02  0.194805D+02
      5   0.125990D+01 -0.291178D+01 -0.163087D+01  0.182944D+02  0.110622D+02
      6  -0.248554D+01  0.535814D+01  0.262201D+01  0.141644D+02  0.123082D+02
               156           157           158           159           160 
      1   0.134216D+01 -0.184471D+01 -0.628947D+01 -0.433758D+01  0.106758D+01
      2  -0.155534D+01  0.674536D+01  0.135848D+02  0.540643D+01 -0.201332D+01
      3   0.213181D+00 -0.490066D+01 -0.729531D+01 -0.106885D+01  0.945745D+00
      4   0.140022D+02  0.158074D+02  0.158667D+02  0.100596D+02  0.127848D+02
      5   0.159370D+02  0.760279D+01  0.955125D+01  0.741874D+01  0.156075D+02
      6   0.126199D+02  0.999941D+01  0.142286D+02  0.154217D+02  0.122324D+02
               161           162           163           164           165 
      1  -0.525901D+01 -0.688361D+01  0.119218D+02 -0.239139D+01  0.196530D+01
      2   0.447695D+01 -0.587090D+00 -0.123867D+02  0.620938D+01 -0.105436D+02
      3   0.782067D+00  0.747070D+01  0.464909D+00 -0.381799D+01  0.857828D+01
      4   0.114154D+02  0.135512D+02  0.257044D+02  0.151775D+02  0.178290D+02
      5   0.101763D+02  0.170719D+02  0.267382D+02  0.914637D+01  0.230613D+02
      6   0.180049D+02  0.202454D+02  0.178060D+02  0.107304D+02  0.164760D+02
               166           167           168           169           170 
      1  -0.621081D+00 -0.604705D+00 -0.105702D+01  0.335312D+01 -0.263943D+01
      2   0.346691D+01  0.291634D+01  0.111818D+01 -0.978375D+01  0.167784D+00
      3  -0.284583D+01 -0.231163D+01 -0.611576D-01  0.643063D+01  0.247165D+01
      4   0.792757D+01  0.537660D+01  0.333760D+01  0.160022D+02  0.616697D+01
      5   0.269670D+01  0.385480D+01  0.153777D+01  0.200265D+02  0.562591D+01
      6   0.439311D+01  0.275647D+01  0.635569D+01  0.120380D+02  0.122466D+02
               171           172           173           174           175 
      1  -0.451119D+01 -0.717375D+00  0.106563D+00  0.839152D+00 -0.187042D+00
      2  -0.812238D+01  0.349319D+01  0.560835D+01 -0.381619D+01  0.544735D+01
      3   0.126336D+02 -0.277581D+01 -0.571491D+01  0.297704D+01 -0.526030D+01
      4   0.122618D+02  0.532297D+01  0.102036D+02 -0.159762D+01  0.100822D+02
      5   0.184978D+02  0.667172D+00  0.362021D+00  0.498355D+01  0.484283D+00
      6   0.172410D+02  0.614649D+00 -0.211299D+01  0.208957D+01 -0.206075D+01
               176           177           178           179           180 
      1  -0.170745D+02  0.536935D+01  0.351208D+00  0.113619D+02 -0.489142D+01
      2   0.436898D+02 -0.180366D+02 -0.473708D+01 -0.297615D+02  0.129202D+02
      3  -0.266153D+02  0.126673D+02  0.438587D+01  0.183996D+02 -0.802874D+01
      4   0.116271D+02 -0.541540D+01 -0.559001D+01 -0.979430D+01  0.474968D+01
      5  -0.309663D+01  0.238594D+01  0.314522D+01  0.285620D+01 -0.359941D+01
      6  -0.839688D+01  0.126269D+02  0.148151D+01  0.107629D+02 -0.155379D+02
               181           182           183           184           185 
      1  -0.407352D+01  0.119099D+02  0.117031D+02  0.619776D+01 -0.100744D+02
      2   0.453828D+00 -0.128414D+02 -0.257119D+01 -0.651341D+01  0.125975D+02
      3   0.361969D+01  0.931517D+00 -0.913193D+01  0.315654D+00 -0.252311D+01
      4  -0.178033D+02  0.111710D+02  0.126778D+02  0.884116D+01 -0.842827D+01
      5  -0.121810D+02  0.681899D+01  0.112334D+02  0.408575D+01 -0.591651D+01
      6   0.148286D+02 -0.162412D+02 -0.170110D+02 -0.909760D+01  0.110365D+02
               186           187           188           189           190 
      1  -0.742142D+01  0.812114D+01 -0.103955D+02 -0.145495D+02  0.721496D+01
      2   0.382577D+01 -0.232724D+01  0.535421D+01  0.108373D+01 -0.637620D+01
      3   0.359565D+01 -0.579390D+01  0.504129D+01  0.134658D+02 -0.838761D+00
      4  -0.685250D+01  0.121852D+02 -0.741360D+01 -0.784678D+01  0.410105D+01
      5  -0.360861D+01  0.109462D+02 -0.382426D+01 -0.741585D+01 -0.591923D+01
      6   0.131013D+02 -0.105464D+02  0.176310D+02  0.210688D+02 -0.138497D+01
               191           192           193           194           195 
      1   0.510352D+01 -0.401083D+01  0.115191D+02 -0.209611D+00 -0.162475D+01
      2  -0.343577D+01  0.535017D+01 -0.755534D+01  0.134417D+01  0.377193D+01
      3  -0.166775D+01 -0.133934D+01 -0.396375D+01 -0.113456D+01 -0.214718D+01
      4   0.385132D+01 -0.273771D+01  0.425357D+01  0.406254D+01 -0.750665D+01
      5  -0.385417D+01  0.135040D+02 -0.506468D+01 -0.734909D+01  0.124372D+02
      6  -0.791053D+00 -0.139993D+00 -0.115483D+00 -0.220299D+01  0.237061D+01
               196           197           198           199           200 
      1  -0.120938D+02 -0.137359D+00  0.574184D+01  0.746924D+01 -0.538390D+01
      2   0.914517D+01  0.322744D+01 -0.158381D+02 -0.215069D+00 -0.507829D+00
      3   0.294864D+01 -0.309008D+01  0.100963D+02 -0.725417D+01  0.589173D+01
      4  -0.117539D+01 -0.102700D+02  0.857810D+01 -0.847585D+01  0.145596D+02
      5   0.185167D+02  0.994181D+01 -0.325789D+02  0.769332D+00  0.327954D+01
      6  -0.141754D+01  0.391828D+01  0.126193D+01  0.153541D+01 -0.155409D+01
               201           202           203           204           205 
      1   0.140137D+01 -0.122406D+02 -0.389391D+01  0.371440D+00  0.177456D+01
      2  -0.109155D+01 -0.182912D+01  0.265449D+02  0.217021D+01 -0.141765D+01
      3  -0.309814D+00  0.140698D+02 -0.226510D+02 -0.254165D+01 -0.356911D+00
      4   0.280286D+01  0.253452D+02 -0.487946D+02 -0.775129D+01  0.354463D+01
      5   0.432522D+01  0.494755D+01 -0.690454D+01 -0.735869D+01  0.677832D+01
      6  -0.124909D+01 -0.289782D+01  0.898654D+01  0.823911D+01 -0.241516D+01
               206           207           208           209           210 
      1  -0.336523D+00  0.102044D+01  0.613029D+02  0.836617D+01  0.207697D+02
      2   0.247473D+01  0.352444D+00 -0.334559D+02 -0.505732D+01 -0.123790D+02
      3  -0.213821D+01 -0.137289D+01 -0.278470D+02 -0.330885D+01 -0.839063D+01
      4  -0.681223D+01 -0.446613D+01  0.391913D+01  0.103873D+02  0.159648D+01
      5  -0.472220D+01 -0.445388D+01  0.242033D+02  0.318831D+01  0.185748D+02
      6   0.720342D+01  0.291303D+01 -0.236585D+01  0.712522D+00 -0.183011D+01
               211           212           213           214           215 
      1   0.185116D+02  0.692681D+01  0.481725D+01  0.370385D+02  0.336557D+01
      2  -0.107164D+02 -0.145502D+01 -0.260176D+01 -0.213558D+02 -0.199207D+01
      3  -0.779517D+01 -0.547179D+01 -0.221549D+01 -0.156828D+02 -0.137349D+01
      4   0.122064D+02  0.237981D+01  0.360260D+01  0.148146D+01  0.706958D+01
      5   0.732118D+01  0.362508D+01  0.775920D+01  0.251480D+02  0.462220D+01
      6   0.108058D+01  0.194510D+01  0.197642D+01 -0.166792D+01  0.219254D+01
               216           217           218           219           220 
      1   0.154353D+02 -0.683718D+01 -0.504004D+01  0.145725D+02 -0.962516D+00
      2  -0.134934D+02 -0.579835D+01  0.159828D+01  0.443123D+01 -0.844489D+00
      3  -0.194193D+01  0.126355D+02  0.344176D+01 -0.190037D+02  0.180701D+01
      4   0.341959D+01  0.124933D+02  0.311241D+01 -0.662330D+01  0.312453D+01
      5   0.192668D+02 -0.207471D+02 -0.197373D+00  0.129677D+02  0.487338D+00
      6  -0.136523D+01 -0.482851D+01 -0.856911D+01  0.106275D+02 -0.405263D+01
               221           222           223           224           225 
      1  -0.275357D+01  0.583491D+00  0.899078D+01  0.144431D+01 -0.105068D+02
      2   0.432726D+01 -0.255667D+01  0.258793D+01 -0.112242D+01 -0.915540D+01
      3  -0.157370D+01  0.197318D+01 -0.115787D+02 -0.321889D+00  0.196622D+02
      4  -0.470685D+00 -0.117218D+01 -0.614019D+01 -0.196938D+01  0.462765D+01
      5  -0.263710D+01  0.306583D+01  0.140263D+02  0.183567D+01 -0.746740D+01
      6  -0.268349D+01  0.274424D+01  0.512328D+01  0.424654D+01 -0.629679D+01
               226           227           228           229           230 
      1   0.102471D+02  0.234930D+01  0.171760D+01  0.381621D+01 -0.668423D+00
      2  -0.210864D+02 -0.466920D+01 -0.218681D+02 -0.822121D+01 -0.305751D-01
      3   0.108393D+02  0.231990D+01  0.201505D+02  0.440500D+01  0.698998D+00
      4  -0.465958D+01  0.516437D+01 -0.538462D+01  0.285280D+01  0.265686D+00
      5   0.284749D+02  0.170416D+01  0.309261D+02  0.934431D+01  0.572752D+01
      6  -0.238821D+01  0.689785D+01 -0.393415D+01  0.441226D+01  0.194197D+01
               231           232           233           234           235 
      1  -0.180611D+01  0.263294D+01  0.432365D-01 -0.796974D+01 -0.208443D+00
      2  -0.100180D+02 -0.180290D+02 -0.364136D+01 -0.292098D+02  0.216107D+01
      3   0.118241D+02  0.153960D+02  0.359813D+01  0.371796D+02 -0.195262D+01
      4   0.217902D+01 -0.490608D+01  0.254777D+01 -0.312806D+01 -0.565927D+01
      5   0.106581D+02  0.260976D+02  0.274487D+01  0.320509D+02  0.290480D+01
      6   0.445954D+01 -0.229050D+01  0.630236D+01 -0.492490D+01 -0.373899D+01
               236           237           238           239           240 
      1  -0.642416D+00 -0.936901D-03 -0.492043D+00 -0.222935D+02  0.596735D+01
      2  -0.590410D+01 -0.196224D+01 -0.674600D+01  0.493398D+02 -0.135901D+01
      3   0.654651D+01  0.196318D+01  0.723804D+01 -0.270463D+02 -0.460834D+01
      4   0.112381D+02 -0.178806D+01  0.130150D+02 -0.251736D+02  0.329083D+01
      5  -0.370084D+01  0.582292D+01 -0.535947D+01  0.691495D+01 -0.368663D+01
      6   0.571215D+01 -0.143552D+01  0.648417D+01 -0.324517D+02  0.122974D+02
               241           242           243 
      1  -0.454157D+00  0.448788D+00 -0.144882D+01
      2  -0.227519D+01  0.462043D+01  0.180165D+01
      3   0.272934D+01 -0.506922D+01 -0.352832D+00
      4   0.118081D+01 -0.253992D+01 -0.141719D+01
      5   0.335154D+01 -0.374842D+00  0.109140D+01
      6  -0.317275D+00  0.449327D+01  0.275593D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.145304D+01      0.369326D+01      0.123194D+02
   x          0.138601D+01      0.352288D+01      0.117511D+02
   y          0.431426D+00      0.109658D+01      0.365778D+01
   z         -0.646109D-01     -0.164225D+00     -0.547794D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.130204D+03      0.192942D+02      0.214677D+02
   aniso      0.837948D+01      0.124171D+01      0.138159D+01
   xx         0.134675D+03      0.199568D+02      0.222049D+02
   yx         0.138155D+01      0.204724D+00      0.227786D+00
   yy         0.129857D+03      0.192428D+02      0.214105D+02
   zx        -0.325054D+00     -0.481680D-01     -0.535941D-01
   zy         0.168208D+01      0.249258D+00      0.277337D+00
   zz         0.126079D+03      0.186830D+02      0.207877D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.138445D+03      0.205155D+02      0.228265D+02
   aniso      0.103368D+02      0.153176D+01      0.170431D+01
   xx         0.144011D+03      0.213403D+02      0.237443D+02
   yx         0.177724D+01      0.263359D+00      0.293027D+00
   yy         0.137621D+03      0.203934D+02      0.226907D+02
   zx        -0.698588D+00     -0.103520D+00     -0.115182D+00
   zy         0.221212D+01      0.327803D+00      0.364730D+00
   zz         0.133703D+03      0.198127D+02      0.220446D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.53897074         -1.18710074          1.45975013
     6          1.24769449         -0.38673759         -0.75456586
     6          2.60048933          1.97306541          0.37591524
     6          0.59195096          3.19373483          2.13424066
     6         -1.73425644          1.48978258          1.73133922
     6         -0.66460144          0.77108575         -2.58332171
     6         -2.69854955          2.02808968         -0.95397387
     6          2.97554797         -2.33228345         -1.92228219
     8         -0.58269020          0.72652398         -4.85686602
     6          0.84906833         -2.08589557          3.82752770
     6         -2.42860755         -3.24730669          0.70949287
     1          4.27029268          1.36689430          1.41877800
     1          3.24988452          3.24527591         -1.10881813
     1          0.18941986          5.14968206          1.62899894
     1          1.20646017          3.19067941          4.09841978
     1         -4.52739822          1.16990844         -1.35970894
     1         -2.85034106          4.03429339         -1.40315989
     1         -3.17194539          1.64936397          3.19682860
     1          4.00896236         -1.51544698         -3.50763211
     1          1.91022964         -3.93886857         -2.65257692
     1          4.34528906         -3.02763773         -0.54591421
     1          2.29474304         -0.77841703          4.47944097
     1          1.76074034         -3.90354788          3.48252356
     1         -0.49489103         -2.35278837          5.37218815
     1         -3.38735397         -2.87435010         -1.07358320
     1         -3.87172812         -3.46349025          2.16931679
     1         -1.46943117         -5.06235279          0.51509988

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.145304D+01      0.369326D+01      0.123194D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.145304D+01      0.369326D+01      0.123194D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.130204D+03      0.192942D+02      0.214677D+02
   aniso      0.837948D+01      0.124171D+01      0.138159D+01
   xx         0.127373D+03      0.188747D+02      0.210009D+02
   yx        -0.235242D+01     -0.348592D+00     -0.387861D+00
   yy         0.128240D+03      0.190032D+02      0.211439D+02
   zx        -0.469306D+00     -0.695440D-01     -0.773781D-01
   zy        -0.465905D+00     -0.690400D-01     -0.768173D-01
   zz         0.134999D+03      0.200048D+02      0.222583D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.138445D+03      0.205155D+02      0.228265D+02
   aniso      0.103368D+02      0.153176D+01      0.170431D+01
   xx         0.135335D+03      0.200545D+02      0.223137D+02
   yx        -0.287538D+01     -0.426087D+00     -0.474086D+00
   yy         0.135565D+03      0.200887D+02      0.223517D+02
   zx        -0.312370D+00     -0.462885D-01     -0.515029D-01
   zy        -0.571610D+00     -0.847038D-01     -0.942457D-01
   zz         0.144435D+03      0.214031D+02      0.238142D+02

 ----------------------------------------------------------------------
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 IN THE UNIVERSE THE DIFFICULT THINGS ARE DONE AS IF THEY WERE EASY.

                                                          -- LAO-TSU
 Job cpu time:       0 days  6 hours 41 minutes  8.8 seconds.
 Elapsed time:       0 days  0 hours 50 minutes 19.4 seconds.
 File lengths (MBytes):  RWF=    465 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 20:23:24 2022.
